4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide

C19H23ClN2O3S — CID 9173695

IUPAC4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-3-15-7-4-5-8-18(15)21-19(23)9-6-14-22(26(2,24)25)17-12-10-16(20)11-13-17/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,23)
InChIKeyNSJGVQCZWUBSII-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.09
Rot. Bonds8

About 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide

4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide (PubChem CID 9173695) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
PubChem CID9173695
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-3-15-7-4-5-8-18(15)21-19(23)9-6-14-22(26(2,24)25)17-12-10-16(20)11-13-17/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,23)
InChIKeyNSJGVQCZWUBSII-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
N-(2-chlorophenyl)-3-[4-(dimethylamino)-N-methylsulfonylanilino]propanamide
CID 113145747
N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 9173648
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
4-(4-chloro-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide
CID 9172941
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 53287913

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide (CID 9173695) is 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide is CCc1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide?
The InChIKey is NSJGVQCZWUBSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-15-7-4-5-8-18(15)21-19(23)9-6-14-22(26(2,24)25)17-12-10-16(20)11-13-17/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide?
4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide has a molecular weight of 394.92 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide is sourced from PubChem (CID 9173695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).