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

C17H18ClNO2S — CID 2712554

IUPAC3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-21-14-8-6-13(7-9-14)12-19-17(20)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyUPIYKLJCNQKHOH-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.15
Rot. Bonds7

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

3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 2712554) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID2712554
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-21-14-8-6-13(7-9-14)12-19-17(20)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyUPIYKLJCNQKHOH-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43387535
N-(1H-benzimidazol-2-ylmethyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 112791121
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide (CID 2712554) is 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCSc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is UPIYKLJCNQKHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-21-14-8-6-13(7-9-14)12-19-17(20)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide?
3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 335.86 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 2712554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).