N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide

C22H20N2O2S — CID 2904304

IUPACN-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H20N2O2S/c1-16(25)23-18-11-8-12-19(15-18)24-22(26)21(17-9-4-2-5-10-17)27-20-13-6-3-7-14-20/h2-15,21H,1H3,(H,23,25)(H,24,26)
InChIKeyVQURJULEQOADGL-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.12
Rot. Bonds6

About N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide

N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2904304) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2904304
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H20N2O2S/c1-16(25)23-18-11-8-12-19(15-18)24-22(26)21(17-9-4-2-5-10-17)27-20-13-6-3-7-14-20/h2-15,21H,1H3,(H,23,25)(H,24,26)
InChIKeyVQURJULEQOADGL-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 55609795
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
(2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2268280
2-(3-acetamidophenyl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 18901188
N-[3-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901782
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 7998096
2-(3-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
CID 18901216
N-[3-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903222
2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide
CID 18901161
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-(3,5-difluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 17271870

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2904304) is N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide is CC(=O)Nc1cccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is VQURJULEQOADGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-16(25)23-18-11-8-12-19(15-18)24-22(26)21(17-9-4-2-5-10-17)27-20-13-6-3-7-14-20/h2-15,21H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 376.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2904304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).