2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

C16H16ClNO2S — CID 18074647

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2S/c1-20-14-4-2-3-12(9-14)10-18-16(19)11-21-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyLSAOXNFJJAIHIK-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.76
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 18074647) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID18074647
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2S/c1-20-14-4-2-3-12(9-14)10-18-16(19)11-21-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyLSAOXNFJJAIHIK-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

N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 55595422
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8541401
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 29304367
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 16542555
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 3603166
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134021325

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (CID 18074647) is 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is LSAOXNFJJAIHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-14-4-2-3-12(9-14)10-18-16(19)11-21-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(3-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-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 18074647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).