2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide

C21H19FN2O3S2 — CID 2205484

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S2/c1-29(26,27)24(17-13-11-16(22)12-14-17)15-21(25)23-19-9-5-6-10-20(19)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyLSXDTBUTMXSXKT-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.38
Rot. Bonds7

About 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide

2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2205484) has the molecular formula C21H19FN2O3S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2205484
Molecular FormulaC21H19FN2O3S2
Molecular Weight430.53 g/mol
Exact Mass430.08
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S2/c1-29(26,27)24(17-13-11-16(22)12-14-17)15-21(25)23-19-9-5-6-10-20(19)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyLSXDTBUTMXSXKT-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.38
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-(cyclohexylsulfanyl)ethyl]-N~2~-(methylsulfonyl)-N~2~-phenylglycinamide
CID 2930050
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4966311
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
N~2~-cyclohexyl-N~2~-(methylsulfonyl)-N~1~-[3-(methylthio)phenyl]glycinamide
CID 1292057
N~2~-(3-fluorophenyl)-N~2~-(methylsulfonyl)-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]glycinamide
CID 1295250
N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methyl-N-[2-(methylsulfanyl)phenyl]glycinamide
CID 2202516
N~2~-benzyl-N~2~-(methylsulfonyl)-N~1~-[2-(methylthio)phenyl]glycinamide
CID 2202721
2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2229921
N-[2-(tert-butylsulfanyl)ethyl]-N~2~-(4-fluorophenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2288502
N-[2-(tert-butylsulfanyl)ethyl]-N~2~-(4-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2290624

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide (CID 2205484) is 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is LSXDTBUTMXSXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S2/c1-29(26,27)24(17-13-11-16(22)12-14-17)15-21(25)23-19-9-5-6-10-20(19)28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 430.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2205484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).