2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide

C16H16ClNO2S — CID 886998

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2S/c1-20-15-9-5-4-8-14(15)18-16(19)11-21-10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMQLMVXQFNCAFPM-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.22
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 886998) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID886998
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2S/c1-20-15-9-5-4-8-14(15)18-16(19)11-21-10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMQLMVXQFNCAFPM-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide (CID 886998) is 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is MQLMVXQFNCAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-15-9-5-4-8-14(15)18-16(19)11-21-10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 321.83 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 886998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).