2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C17H18ClNOS — CID 735121

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClNOS/c1-11-8-12(2)17(13(3)9-11)19-16(20)10-21-15-6-4-14(18)5-7-15/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyJFHBBFNITWQVFG-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.00
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 735121) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID735121
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClNOS/c1-11-8-12(2)17(13(3)9-11)19-16(20)10-21-15-6-4-14(18)5-7-15/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyJFHBBFNITWQVFG-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2704735
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7744043
2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]acetamide
CID 23903859
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4211835
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 46788978
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methylbenzoic acid
CID 4188338
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 24574595
2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3259018
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-(4-chlorophenyl)sulfanyl-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162631847

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 735121) is 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JFHBBFNITWQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-11-8-12(2)17(13(3)9-11)19-16(20)10-21-15-6-4-14(18)5-7-15/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 319.86 g/mol, XLogP of 5.00, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 735121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).