(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

C17H18ClNOS — CID 848333

IUPAC(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNOS/c1-12-3-9-16(10-4-12)21-13(2)17(20)19-11-14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyOXYXZYAFJYTEHV-ZDUSSCGKSA-N
MW319.86 g/mol
LogP4.45
Rot. Bonds5

About (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 848333) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID848333
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNOS/c1-12-3-9-16(10-4-12)21-13(2)17(20)19-11-14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyOXYXZYAFJYTEHV-ZDUSSCGKSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
CID 60594314
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9305174
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133206073
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 100746008
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 133162697
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
2-(4-chlorophenyl)sulfanyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132658655

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 848333) is (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is OXYXZYAFJYTEHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-12-3-9-16(10-4-12)21-13(2)17(20)19-11-14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 319.86 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 848333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).