(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide

C17H17NO2S — CID 2501504

IUPAC(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1
InChIInChI=1S/C17H17NO2S/c1-12(19)14-8-10-15(11-9-14)18-17(20)13(2)21-16-6-4-3-5-7-16/h3-11,13H,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyARZWGCAYBSKQKH-CYBMUJFWSA-N
MW299.40 g/mol
LogP4.01
Rot. Bonds5

About (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide

(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide (PubChem CID 2501504) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
PubChem CID2501504
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1
InChIInChI=1S/C17H17NO2S/c1-12(19)14-8-10-15(11-9-14)18-17(20)13(2)21-16-6-4-3-5-7-16/h3-11,13H,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyARZWGCAYBSKQKH-CYBMUJFWSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
CID 24527802
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
4-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 19317171
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
N-[3-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901250

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide (CID 2501504) is (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is ARZWGCAYBSKQKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12(19)14-8-10-15(11-9-14)18-17(20)13(2)21-16-6-4-3-5-7-16/h3-11,13H,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide?
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2501504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).