2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide

C15H24N2O3S — CID 58611685

IUPAC2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-6-15(4,5)14(18)16-12-7-9-13(10-8-12)21(19,20)17-11(2)3/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyADUKYJWXKHPQOD-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.75
Rot. Bonds6

About 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide

2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 58611685) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
PubChem CID58611685
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-6-15(4,5)14(18)16-12-7-9-13(10-8-12)21(19,20)17-11(2)3/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyADUKYJWXKHPQOD-UHFFFAOYSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 59806865
2-amino-2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 119685767
2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid
CID 138032225
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 64558207
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 2221969
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
CID 60687796
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide (CID 58611685) is 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide is CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is ADUKYJWXKHPQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-15(4,5)14(18)16-12-7-9-13(10-8-12)21(19,20)17-11(2)3/h7-11,17H,6H2,1-5H3,(H,16,18).
What are the key properties of 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 312.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 58611685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).