2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide

C21H26N2O3S2 — CID 2202359

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1
InChIInChI=1S/C21H26N2O3S2/c1-28(25,26)23(17-10-4-2-5-11-17)16-21(24)22-19-14-8-9-15-20(19)27-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,22,24)
InChIKeyYYGFUMGUOAYFFZ-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.37
Rot. Bonds7

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2202359) has the molecular formula C21H26N2O3S2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2202359
Molecular FormulaC21H26N2O3S2
Molecular Weight418.58 g/mol
Exact Mass418.14
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1
InChIInChI=1S/C21H26N2O3S2/c1-28(25,26)23(17-10-4-2-5-11-17)16-21(24)22-19-14-8-9-15-20(19)27-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,22,24)
InChIKeyYYGFUMGUOAYFFZ-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide
CID 2930050
N-cyclohexyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3690577
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
Acetamide, N-[2-(phenylsulfonyl)phenyl]-
CID 365390
2-[Cyclohexyl(methyl)amino]-N-[2-(phenylsulfanyl)phenyl]acetamide
CID 4965445
2-[(4-Cyclohexylsulfamoyl-benzenesulfonyl)-cyclopropyl-amino]-N-phenyl-acetamide
CID 647336
2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1007866
N~2~-cyclohexyl-N~2~-(methylsulfonyl)-N~1~-[3-(methylthio)phenyl]glycinamide
CID 1292057
N~2~-(3-methylphenyl)-N~2~-(methylsulfonyl)-N~1~-[3-(methylthio)phenyl]glycinamide
CID 1308148

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide (CID 2202359) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is YYGFUMGUOAYFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S2/c1-28(25,26)23(17-10-4-2-5-11-17)16-21(24)22-19-14-8-9-15-20(19)27-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,22,24).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 418.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2202359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).