N-benzylsulfonyl-2,2-dimethylbutanamide

C13H19NO3S — CID 174337929

IUPACN-benzylsulfonyl-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H19NO3S/c1-4-13(2,3)12(15)14-18(16,17)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,15)
InChIKeyXCTMLAZQWLBLBQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.07
Rot. Bonds5

About N-benzylsulfonyl-2,2-dimethylbutanamide

N-benzylsulfonyl-2,2-dimethylbutanamide (PubChem CID 174337929) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-benzylsulfonyl-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-benzylsulfonyl-2,2-dimethylbutanamide
PubChem CID174337929
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-benzylsulfonyl-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H19NO3S/c1-4-13(2,3)12(15)14-18(16,17)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,15)
InChIKeyXCTMLAZQWLBLBQ-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzylsulfonyl-2,2-dimethylbutanamide 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

3-(benzylsulfonylamino)-3-methylbutanoic acid
CID 64700945
N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide
CID 167798570
1-benzylsulfonyl-3-phenylurea
CID 22715536
2,2-dimethyl-N-(phenylsulfamoyl)butanamide;ethane;2-methylbutane
CID 91132595
2-[(benzylsulfonylamino)-methylamino]acetic acid
CID 53397572
4-(benzylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001767
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
N-(2-cyanobutan-2-yl)-1-phenylmethanesulfonamide
CID 61123309
(4Z,7Z,10Z,13Z,16Z,19Z)-N-benzylsulfonyldocosa-4,7,10,13,16,19-hexaenamide
CID 155558936
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
N'-(2,2-dimethylbutanoyl)benzohydrazide
CID 129281767
2-(benzylsulfonylamino)-N,N-diethylacetamide
CID 47098437

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-2,2-dimethylbutanamide?
The IUPAC name of N-benzylsulfonyl-2,2-dimethylbutanamide (CID 174337929) is N-benzylsulfonyl-2,2-dimethylbutanamide.
What is the SMILES notation for N-benzylsulfonyl-2,2-dimethylbutanamide?
The canonical SMILES for N-benzylsulfonyl-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-benzylsulfonyl-2,2-dimethylbutanamide?
The InChIKey is XCTMLAZQWLBLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-13(2,3)12(15)14-18(16,17)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,15).
What are the key properties of N-benzylsulfonyl-2,2-dimethylbutanamide?
N-benzylsulfonyl-2,2-dimethylbutanamide has a molecular weight of 269.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-2,2-dimethylbutanamide is sourced from PubChem (CID 174337929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).