3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide

C19H22ClNOS — CID 132652863

IUPAC3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNOS/c1-13-4-5-14(2)18(12-13)15(3)21-19(22)10-11-23-17-8-6-16(20)7-9-17/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)
InChIKeyBOJCIBGZSDFEQM-UHFFFAOYSA-N
MW347.91 g/mol
LogP5.32
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide (PubChem CID 132652863) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
PubChem CID132652863
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNOS/c1-13-4-5-14(2)18(12-13)15(3)21-19(22)10-11-23-17-8-6-16(20)7-9-17/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)
InChIKeyBOJCIBGZSDFEQM-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.91
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130674
3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 26618385
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 133225019
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide (CID 132652863) is 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide is Cc1ccc(C)c(C(C)NC(=O)CCSc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The InChIKey is BOJCIBGZSDFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNOS/c1-13-4-5-14(2)18(12-13)15(3)21-19(22)10-11-23-17-8-6-16(20)7-9-17/h4-9,12,15H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide has a molecular weight of 347.91 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 132652863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).