N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide

C16H15ClFNO2S — CID 16567918

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccccc2F)cc1Cl
InChIInChI=1S/C16H15ClFNO2S/c1-21-14-7-6-11(10-12(14)17)19-16(20)8-9-22-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyMYEVICLRZIDZES-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.61
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide

N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 16567918) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID16567918
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccccc2F)cc1Cl
InChIInChI=1S/C16H15ClFNO2S/c1-21-14-7-6-11(10-12(14)17)19-16(20)8-9-22-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyMYEVICLRZIDZES-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
N-(3-chloro-4-methoxyphenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 23833280
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium
CID 7999776
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555394
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide (CID 16567918) is N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide is COc1ccc(NC(=O)CCSc2ccccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is MYEVICLRZIDZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c1-21-14-7-6-11(10-12(14)17)19-16(20)8-9-22-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 339.82 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 16567918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).