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

C13H20N2O3S — CID 59806865

IUPAC2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C13H20N2O3S/c1-5-13(2,3)12(16)15-10-6-8-11(9-7-10)19(17,18)14-4/h6-9,14H,5H2,1-4H3,(H,15,16)
InChIKeyYYHLWVFVCTYRLF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.97
Rot. Bonds5

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

2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide (PubChem CID 59806865) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
PubChem CID59806865
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C13H20N2O3S/c1-5-13(2,3)12(16)15-10-6-8-11(9-7-10)19(17,18)14-4/h6-9,14H,5H2,1-4H3,(H,15,16)
InChIKeyYYHLWVFVCTYRLF-UHFFFAOYSA-N
XLogP1.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
[[4-(2,2-dimethylbutanoylamino)phenyl]-hydroxy-propan-2-ylidene-λ6-sulfanylidene]methanolate
CID 23561590
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 60849933
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346
1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 971008
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171205
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
2-methyl-2-(methylamino)-N-(4-methylsulfonylphenyl)propanamide
CID 55121970

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide (CID 59806865) is 2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide is CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is YYHLWVFVCTYRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-13(2,3)12(16)15-10-6-8-11(9-7-10)19(17,18)14-4/h6-9,14H,5H2,1-4H3,(H,15,16).
What are the key properties of 2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide?
2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 284.38 g/mol, XLogP of 1.97, 5 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-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 59806865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).