N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide

C14H21NO3S — CID 18325693

IUPACN-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCCC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO3S/c1-6-13(16)15(14(3,4)5)19(17,18)12-9-7-11(2)8-10-12/h7-10H,6H2,1-5H3
InChIKeyIGSIQLXLSZFQHA-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.72
Rot. Bonds3

About N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide

N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 18325693) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID18325693
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCCC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO3S/c1-6-13(16)15(14(3,4)5)19(17,18)12-9-7-11(2)8-10-12/h7-10H,6H2,1-5H3
InChIKeyIGSIQLXLSZFQHA-UHFFFAOYSA-N
XLogP2.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide (CID 18325693) is N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide is CCC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is IGSIQLXLSZFQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-6-13(16)15(14(3,4)5)19(17,18)12-9-7-11(2)8-10-12/h7-10H,6H2,1-5H3.
What are the key properties of N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide?
N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 283.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 18325693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).