(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide

C19H23NOS — CID 39758716

IUPAC(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H23NOS/c1-14-9-11-18(12-10-14)22-16(3)19(21)20-13-15(2)17-7-5-4-6-8-17/h4-12,15-16H,13H2,1-3H3,(H,20,21)/t15-,16+/m1/s1
InChIKeyJBURVMJEVPLEND-CVEARBPZSA-N
MW313.47 g/mol
LogP4.40
Rot. Bonds6

About (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide

(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 39758716) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID39758716
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H23NOS/c1-14-9-11-18(12-10-14)22-16(3)19(21)20-13-15(2)17-7-5-4-6-8-17/h4-12,15-16H,13H2,1-3H3,(H,20,21)/t15-,16+/m1/s1
InChIKeyJBURVMJEVPLEND-CVEARBPZSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]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-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9142237
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119527437
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide (CID 39758716) is (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide is Cc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is JBURVMJEVPLEND-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23NOS/c1-14-9-11-18(12-10-14)22-16(3)19(21)20-13-15(2)17-7-5-4-6-8-17/h4-12,15-16H,13H2,1-3H3,(H,20,21)/t15-,16+/m1/s1.
What are the key properties of (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide?
(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 313.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 39758716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).