3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide

C18H20ClNO4S — CID 110418654

IUPAC3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H20ClNO4S/c1-3-13-6-4-5-7-16(13)20-18(21)10-11-25(22,23)14-8-9-17(24-2)15(19)12-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyQSUOOXLNTQFZJV-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.71
Rot. Bonds7

About 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide (PubChem CID 110418654) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
PubChem CID110418654
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H20ClNO4S/c1-3-13-6-4-5-7-16(13)20-18(21)10-11-25(22,23)14-8-9-17(24-2)15(19)12-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyQSUOOXLNTQFZJV-UHFFFAOYSA-N
XLogP3.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide 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

3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
CID 110428380
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 109036116
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
CID 110423650
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
CID 110418941
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 9438977
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
CID 110410741
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide (CID 110418654) is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide?
The InChIKey is QSUOOXLNTQFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-3-13-6-4-5-7-16(13)20-18(21)10-11-25(22,23)14-8-9-17(24-2)15(19)12-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide?
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide has a molecular weight of 381.88 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 110418654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).