2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

C16H16ClNO2S — CID 2342913

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2S/c1-20-14-8-4-2-6-12(14)10-18-16(19)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMSQRNXIRUBAZAW-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.76
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 2342913) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID2342913
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2S/c1-20-14-8-4-2-6-12(14)10-18-16(19)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMSQRNXIRUBAZAW-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33105271
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 46586301
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
N-[(2-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 26776005
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
CID 9404793
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (CID 2342913) is 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is MSQRNXIRUBAZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-14-8-4-2-6-12(14)10-18-16(19)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 321.83 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2342913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).