2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide

C17H18ClNOS — CID 11836491

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNOS/c1-11-8-12(2)10-15(9-11)19-17(20)13(3)21-16-6-4-14(18)5-7-16/h4-10,13H,1-3H3,(H,19,20)
InChIKeyUGTIJQWIYSZGPZ-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.08
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide (PubChem CID 11836491) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
PubChem CID11836491
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNOS/c1-11-8-12(2)10-15(9-11)19-17(20)13(3)21-16-6-4-14(18)5-7-16/h4-10,13H,1-3H3,(H,19,20)
InChIKeyUGTIJQWIYSZGPZ-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.86
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 95048255
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 18894186
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
methyl 4-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 970587

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide (CID 11836491) is 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)C(C)Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is UGTIJQWIYSZGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-11-8-12(2)10-15(9-11)19-17(20)13(3)21-16-6-4-14(18)5-7-16/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 319.86 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 11836491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).