2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide

C13H20N2O3S — CID 62677678

IUPAC2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-5-13(3,4)12(16)15-10-6-7-11(9(2)8-10)19(14,17)18/h6-8H,5H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyTZAFHHCQJQBNIL-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.02
Rot. Bonds4

About 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide

2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide (PubChem CID 62677678) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
PubChem CID62677678
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-5-13(3,4)12(16)15-10-6-7-11(9(2)8-10)19(14,17)18/h6-8H,5H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyTZAFHHCQJQBNIL-UHFFFAOYSA-N
XLogP2.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677873
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide
CID 20793594
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43134004

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide (CID 62677678) is 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide is CCC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide?
The InChIKey is TZAFHHCQJQBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-13(3,4)12(16)15-10-6-7-11(9(2)8-10)19(14,17)18/h6-8H,5H2,1-4H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide?
2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide has a molecular weight of 284.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 62677678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).