2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide

C24H24N2O2S — CID 19631326

IUPAC2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide
SMILESCCC(Sc1ccc(NC(C)=O)cc1)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-3-23(29-22-16-14-19(15-17-22)25-18(2)27)24(28)26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,3H2,1-2H3,(H,25,27)
InChIKeyBRGVENXQNUATLQ-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.88
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide

2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide (PubChem CID 19631326) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide
PubChem CID19631326
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide
SMILESCCC(Sc1ccc(NC(C)=O)cc1)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-3-23(29-22-16-14-19(15-17-22)25-18(2)27)24(28)26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,3H2,1-2H3,(H,25,27)
InChIKeyBRGVENXQNUATLQ-UHFFFAOYSA-N
XLogP5.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]pentanamide
CID 22782008
N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 23094955
2,3,4,5-tetrachloro-6-[[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22784537
N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
CID 63582470
N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22784230
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N,N-diphenylbutanamide
CID 19318663
4-nitro-N-[3-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]benzamide
CID 19318673
(E)-4-oxo-4-[4-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 22784604
(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
CID 92682333
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
CID 42970232
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide
CID 23857909
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-diphenylbutanamide
CID 23859713

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide (CID 19631326) is 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide is CCC(Sc1ccc(NC(C)=O)cc1)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide?
The InChIKey is BRGVENXQNUATLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-3-23(29-22-16-14-19(15-17-22)25-18(2)27)24(28)26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,3H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide?
2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide has a molecular weight of 404.54 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide is sourced from PubChem (CID 19631326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).