M25

N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE

Created:	2006-10-27
Last modified:	2011-06-04

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5 entries where M25 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

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Chemical Component Summary
Name	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE
Systematic Name (OpenEye OEToolkits)	N-[2-(4-sulfamoylphenyl)ethyl]ethanamide
Formula	C₁₀ H₁₄ N₂ O₃ S
Molecular Weight	242.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1ccc(cc1)CCNC(=O)C)N
SMILES	CACTVS	3.341	CC(=O)NCCc1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCc1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.341	CC(=O)NCCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)
InChIKey	InChI	1.03	IIMGUEXQORZTID-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08155
Name	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE
Groups	experimental
Synonyms	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Carbonic anhydrase 1	MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISV...	unknown
Carbonic anhydrase 2	MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682