3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide

C18H21ClN2O3S — CID 113143927

IUPAC3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-3-14-4-8-16(9-5-14)20-18(22)12-13-21(25(2,23)24)17-10-6-15(19)7-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyYUHJCJVFKQLOCW-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.70
Rot. Bonds7

About 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide

3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide (PubChem CID 113143927) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
PubChem CID113143927
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-3-14-4-8-16(9-5-14)20-18(22)12-13-21(25(2,23)24)17-10-6-15(19)7-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyYUHJCJVFKQLOCW-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952
N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285217
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142859
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide (CID 113143927) is 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The InChIKey is YUHJCJVFKQLOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-14-4-8-16(9-5-14)20-18(22)12-13-21(25(2,23)24)17-10-6-15(19)7-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113143927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).