2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide

C16H16ClNO2S — CID 879766

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO2S/c1-20-14-7-4-6-13(9-14)18-16(19)11-21-10-12-5-2-3-8-15(12)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyRYHRDGWANXQVLU-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.22
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 879766) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
PubChem CID879766
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO2S/c1-20-14-7-4-6-13(9-14)18-16(19)11-21-10-12-5-2-3-8-15(12)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyRYHRDGWANXQVLU-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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Related Compounds

N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide
CID 38328922
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 40752824
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 17444380
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoate
CID 9322415
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
CID 66231284
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide (CID 879766) is 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSCc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is RYHRDGWANXQVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-14-7-4-6-13(9-14)18-16(19)11-21-10-12-5-2-3-8-15(12)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 879766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).