2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide

C14H21NO3S — CID 63198818

IUPAC2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1CC(=O)C(C)C
InChIInChI=1S/C14H21NO3S/c1-10(2)13(16)9-12-7-5-6-8-14(12)19(17,18)15-11(3)4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyVZZYJKYQCJHDHR-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.14
Rot. Bonds6

About 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide

2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 63198818) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID63198818
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1CC(=O)C(C)C
InChIInChI=1S/C14H21NO3S/c1-10(2)13(16)9-12-7-5-6-8-14(12)19(17,18)15-11(3)4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyVZZYJKYQCJHDHR-UHFFFAOYSA-N
XLogP2.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide 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-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide
CID 63196503
2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
CID 63202897
1-(2-ethylphenyl)-3-methylbutan-2-one
CID 20612116
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62006228
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031977
2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide
CID 55161343

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide (CID 63198818) is 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1CC(=O)C(C)C.
What is the InChIKey of 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VZZYJKYQCJHDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(2)13(16)9-12-7-5-6-8-14(12)19(17,18)15-11(3)4/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide?
2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63198818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).