2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide

C16H16ClNO3S — CID 777470

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H16ClNO3S/c1-20-14-8-5-12(9-15(14)21-2)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyXOBGOQYNOCIGPM-UHFFFAOYSA-N
MW337.83 g/mol
LogP4.09
Rot. Bonds6

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

2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 777470) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID777470
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H16ClNO3S/c1-20-14-8-5-12(9-15(14)21-2)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyXOBGOQYNOCIGPM-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide (CID 777470) is 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is XOBGOQYNOCIGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-20-14-8-5-12(9-15(14)21-2)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 337.83 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 777470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).