2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide

C19H22ClNOS — CID 132652855

IUPAC2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1C
InChIInChI=1S/C19H22ClNOS/c1-4-18(17-10-5-13(2)11-14(17)3)21-19(22)12-23-16-8-6-15(20)7-9-16/h5-11,18H,4,12H2,1-3H3,(H,21,22)
InChIKeyKKSGNNBLRUAGEE-UHFFFAOYSA-N
MW347.91 g/mol
LogP5.32
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 132652855) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID132652855
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1C
InChIInChI=1S/C19H22ClNOS/c1-4-18(17-10-5-13(2)11-14(17)3)21-19(22)12-23-16-8-6-15(20)7-9-16/h5-11,18H,4,12H2,1-3H3,(H,21,22)
InChIKeyKKSGNNBLRUAGEE-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

2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide
CID 124754655
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46771387
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94018852
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132660242
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 132652315
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30219832
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 99993779
2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7737232

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide (CID 132652855) is 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide is CCC(NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is KKSGNNBLRUAGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNOS/c1-4-18(17-10-5-13(2)11-14(17)3)21-19(22)12-23-16-8-6-15(20)7-9-16/h5-11,18H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide 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 2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 132652855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).