(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide

C17H19NOS — CID 846798

IUPAC(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)c(C)c1
InChIInChI=1S/C17H19NOS/c1-12-9-10-16(13(2)11-12)18-17(19)14(3)20-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyVBBABYLRCQIEIO-CQSZACIVSA-N
MW285.41 g/mol
LogP4.42
Rot. Bonds4

About (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide

(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide (PubChem CID 846798) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
PubChem CID846798
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)c(C)c1
InChIInChI=1S/C17H19NOS/c1-12-9-10-16(13(2)11-12)18-17(19)14(3)20-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyVBBABYLRCQIEIO-CQSZACIVSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 8864929
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43906041
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
N-(2,4-dimethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51234940
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,4-dimethylphenyl)propanamide
CID 51235796
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4-dimethylphenyl)propanamide
CID 46620299
N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2976562
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide (CID 846798) is (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide is Cc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)c(C)c1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is VBBABYLRCQIEIO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12-9-10-16(13(2)11-12)18-17(19)14(3)20-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide?
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 846798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).