2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide

C12H17NO3S — CID 47130286

IUPAC2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide
SMILESCc1cccc(S(=O)(=O)NC(=O)C(C)(C)C)c1
InChIInChI=1S/C12H17NO3S/c1-9-6-5-7-10(8-9)17(15,16)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKeyWMENBEHYLFKGJC-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.85
Rot. Bonds2

About 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide

2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide (PubChem CID 47130286) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide
PubChem CID47130286
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide
SMILESCc1cccc(S(=O)(=O)NC(=O)C(C)(C)C)c1
InChIInChI=1S/C12H17NO3S/c1-9-6-5-7-10(8-9)17(15,16)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKeyWMENBEHYLFKGJC-UHFFFAOYSA-N
XLogP1.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
(3-methylphenyl)sulfonylurea
CID 46224904
3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
CID 90959101
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-chloro-3-methylbenzenesulfonamide
CID 18672211
N-(3-methylphenyl)sulfonylfuran-2-carboxamide
CID 47130299
tert-butyl N-[4-[(3-methylphenyl)sulfonylcarbamoylamino]butyl]carbamate
CID 155797186
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
1-(3-methylphenyl)sulfonyl-3-[6-[(3-methylphenyl)sulfonylcarbamoylamino]hex-3-ynyl]urea
CID 24964016
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[(3-methylphenyl)sulfonylamino]urea
CID 11646849
3-hydroxy-3-methyl-4-[(3-methylphenyl)sulfonylamino]butanoic acid
CID 66001569
N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 103835403

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide (CID 47130286) is 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide is Cc1cccc(S(=O)(=O)NC(=O)C(C)(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide?
The InChIKey is WMENBEHYLFKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-6-5-7-10(8-9)17(15,16)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide?
2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide has a molecular weight of 255.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 47130286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).