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

C16H16ClNOS — CID 3936827

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNOS/c1-11-7-12(2)9-14(8-11)18-16(19)10-20-15-5-3-13(17)4-6-15/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVUSQVFUKLLGMPR-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.69
Rot. Bonds4

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

2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (PubChem CID 3936827) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
PubChem CID3936827
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNOS/c1-11-7-12(2)9-14(8-11)18-16(19)10-20-15-5-3-13(17)4-6-15/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVUSQVFUKLLGMPR-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 2227981
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3951363
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3683998

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (CID 3936827) is 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is VUSQVFUKLLGMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11-7-12(2)9-14(8-11)18-16(19)10-20-15-5-3-13(17)4-6-15/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 305.83 g/mol, XLogP of 4.69, 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)acetamide is sourced from PubChem (CID 3936827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).