(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide

C23H22N2O2S — CID 7998096

IUPAC(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
SMILESCC(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-16-8-10-20(11-9-16)25-23(27)22(18-6-4-3-5-7-18)28-21-14-12-19(13-15-21)24-17(2)26/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t22-/m1/s1
InChIKeyVIUSHYVOPXALDE-JOCHJYFZSA-N
MW390.51 g/mol
LogP5.43
Rot. Bonds6

About (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 7998096) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID7998096
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
SMILESCC(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-16-8-10-20(11-9-16)25-23(27)22(18-6-4-3-5-7-18)28-21-14-12-19(13-15-21)24-17(2)26/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t22-/m1/s1
InChIKeyVIUSHYVOPXALDE-JOCHJYFZSA-N
XLogP5.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23096211
2-(4-acetamidophenyl)sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 19631343
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
4-methyl-N-[4-[2-oxo-1-phenyl-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]benzamide
CID 22782953
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993
3-[[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 23099709
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712544

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide (CID 7998096) is (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide is CC(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is VIUSHYVOPXALDE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-8-10-20(11-9-16)25-23(27)22(18-6-4-3-5-7-18)28-21-14-12-19(13-15-21)24-17(2)26/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide?
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 390.51 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 7998096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).