N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide

C13H19NO3S — CID 58961002

IUPACN-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide
SMILESCC(C)(C)C(=O)c1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-13(2,3)12(15)11-7-5-10(6-8-11)9-14-18(4,16)17/h5-8,14H,9H2,1-4H3
InChIKeySKIKPBZYRPJLFT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.96
Rot. Bonds4

About N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide

N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide (PubChem CID 58961002) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide
PubChem CID58961002
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide
SMILESCC(C)(C)C(=O)c1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-13(2,3)12(15)11-7-5-10(6-8-11)9-14-18(4,16)17/h5-8,14H,9H2,1-4H3
InChIKeySKIKPBZYRPJLFT-UHFFFAOYSA-N
XLogP1.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
CID 70601747
CID 70601747
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356
1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one
CID 21425486
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119792370
4-[[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]methyl]benzoic acid
CID 120512065
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide (CID 58961002) is N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide is CC(C)(C)C(=O)c1ccc(CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide?
The InChIKey is SKIKPBZYRPJLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,3)12(15)11-7-5-10(6-8-11)9-14-18(4,16)17/h5-8,14H,9H2,1-4H3.
What are the key properties of N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide?
N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 58961002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).