(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide

C17H19NOS2 — CID 951511

IUPAC(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NOS2/c1-12-7-9-15(10-8-12)21-13(2)17(19)18-14-5-4-6-16(11-14)20-3/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyQLULWMSIPJKVCC-ZDUSSCGKSA-N
MW317.48 g/mol
LogP4.84
Rot. Bonds5

About (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide

(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 951511) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
PubChem CID951511
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NOS2/c1-12-7-9-15(10-8-12)21-13(2)17(19)18-14-5-4-6-16(11-14)20-3/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyQLULWMSIPJKVCC-ZDUSSCGKSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide 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)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
N-[3-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 18906978
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316564
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
3-methyl-N-[3-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18906716
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-(3,4-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316560
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide (CID 951511) is (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1.
What is the InChIKey of (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is QLULWMSIPJKVCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-12-7-9-15(10-8-12)21-13(2)17(19)18-14-5-4-6-16(11-14)20-3/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide?
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 317.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 951511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).