4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide

C21H28N2O3S — CID 110626723

IUPAC4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide
SMILESCc1ccc(CCCC(=O)NCCS(=O)(=O)N(C)c2ccccc2)cc1C
InChIInChI=1S/C21H28N2O3S/c1-17-12-13-19(16-18(17)2)8-7-11-21(24)22-14-15-27(25,26)23(3)20-9-5-4-6-10-20/h4-6,9-10,12-13,16H,7-8,11,14-15H2,1-3H3,(H,22,24)
InChIKeyBFAMUZHRMHOGQY-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.21
Rot. Bonds9

About 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide

4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide (PubChem CID 110626723) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide
PubChem CID110626723
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide
SMILESCc1ccc(CCCC(=O)NCCS(=O)(=O)N(C)c2ccccc2)cc1C
InChIInChI=1S/C21H28N2O3S/c1-17-12-13-19(16-18(17)2)8-7-11-21(24)22-14-15-27(25,26)23(3)20-9-5-4-6-10-20/h4-6,9-10,12-13,16H,7-8,11,14-15H2,1-3H3,(H,22,24)
InChIKeyBFAMUZHRMHOGQY-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(phenyl)sulfamoyl]-N-propylpropanamide
CID 110342905
2-(4-chlorophenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]acetamide
CID 110287682
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110606172
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110626756
N-hydroxy-8-[methyl(phenyl)sulfamoyl]octanamide
CID 10131480
ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate
CID 110287709
4-[4-oxo-4-(2-phenylethylamino)butyl]benzenesulfonic acid
CID 23037515
4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287677
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110423518
2,4-dichloro-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287713
3-[(3,4-dimethylphenyl)methylsulfonyl-methylamino]propanoic acid
CID 122069208
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide (CID 110626723) is 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide is Cc1ccc(CCCC(=O)NCCS(=O)(=O)N(C)c2ccccc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide?
The InChIKey is BFAMUZHRMHOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-17-12-13-19(16-18(17)2)8-7-11-21(24)22-14-15-27(25,26)23(3)20-9-5-4-6-10-20/h4-6,9-10,12-13,16H,7-8,11,14-15H2,1-3H3,(H,22,24).
What are the key properties of 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide?
4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide has a molecular weight of 388.53 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide is sourced from PubChem (CID 110626723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).