3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide

C16H16ClNO2S — CID 846817

IUPAC3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-20-14-6-4-13(5-7-14)18-16(19)10-11-21-15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyKRNKZBPHQCDWAE-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.47
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide (PubChem CID 846817) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
PubChem CID846817
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-20-14-6-4-13(5-7-14)18-16(19)10-11-21-15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyKRNKZBPHQCDWAE-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 9438269
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide
CID 95778337
3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 46533396
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 7927019
3-(4-methoxyphenyl)sulfanyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959778
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257472

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide (CID 846817) is 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is KRNKZBPHQCDWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-14-6-4-13(5-7-14)18-16(19)10-11-21-15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 321.83 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 846817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).