2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide

C12H17NO3S — CID 13115461

IUPAC2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C12H17NO3S/c1-9-5-7-10(8-6-9)17(15,16)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKeyBSXNRMMMDBPFJF-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.85
Rot. Bonds2

About 2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide

2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 13115461) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID13115461
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C12H17NO3S/c1-9-5-7-10(8-6-9)17(15,16)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKeyBSXNRMMMDBPFJF-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide (CID 13115461) is 2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is BSXNRMMMDBPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-5-7-10(8-6-9)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-(4-methylphenyl)sulfonylpropanamide?
2,2-dimethyl-N-(4-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-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 13115461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).