2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C16H17FN2O3S2 — CID 2202516

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S2/c1-19(24(21,22)13-9-7-12(17)8-10-13)11-16(20)18-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyDBKMWWQREFCJMQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.81
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2202516) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2202516
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S2/c1-19(24(21,22)13-9-7-12(17)8-10-13)11-16(20)18-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyDBKMWWQREFCJMQ-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~-cyclohexyl-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)phenyl]glycinamide
CID 2202359
N-(2,4-difluorophenyl)-2-[(phenylsulfonyl)amino]acetamide
CID 900314
2-(Cyclohexyl-methanesulfonyl-amino)-N-(2,4-difluoro-phenyl)-acetamide
CID 954246
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide
CID 2930050
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4966311
4-(4-Methylsulfanyl-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 6494066
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
2-(2-Oxo-benzothiazol-3-yl)-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
CID 644898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 2202516) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is DBKMWWQREFCJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c1-19(24(21,22)13-9-7-12(17)8-10-13)11-16(20)18-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2202516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).