N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide

C16H15Cl2NO2S — CID 1337784

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2S/c1-21-15-7-4-12(18)10-14(15)19-16(20)8-9-22-13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyZAYHBRFSJDLIBA-UHFFFAOYSA-N
MW356.27 g/mol
LogP5.12
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide

N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 1337784) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID1337784
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2S/c1-21-15-7-4-12(18)10-14(15)19-16(20)8-9-22-13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyZAYHBRFSJDLIBA-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.27
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 23804473
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304966
N-(5-chloro-2-methoxyphenyl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 23804204
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide (CID 1337784) is N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide is COc1ccc(Cl)cc1NC(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is ZAYHBRFSJDLIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c1-21-15-7-4-12(18)10-14(15)19-16(20)8-9-22-13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 356.27 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 1337784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).