(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide

C19H22ClNOS — CID 99130674

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNOS/c1-12-5-6-13(2)18(11-12)14(3)21-19(22)15(4)23-17-9-7-16(20)8-10-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m0/s1
InChIKeyJYIHXANLCVGSEI-LSDHHAIUSA-N
MW347.91 g/mol
LogP5.31
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide (PubChem CID 99130674) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
PubChem CID99130674
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNOS/c1-12-5-6-13(2)18(11-12)14(3)21-19(22)15(4)23-17-9-7-16(20)8-10-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m0/s1
InChIKeyJYIHXANLCVGSEI-LSDHHAIUSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.91
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 132651271
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 132652863
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
CID 99999779
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide (CID 99130674) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide is Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The InChIKey is JYIHXANLCVGSEI-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H22ClNOS/c1-12-5-6-13(2)18(11-12)14(3)21-19(22)15(4)23-17-9-7-16(20)8-10-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide has a molecular weight of 347.91 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 99130674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).