4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide

C18H23N3O3S — CID 24981082

IUPAC4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13(2)12-17(18(22)20-15-8-10-19-11-9-15)21-25(23,24)16-6-4-14(3)5-7-16/h4-11,13,17,21H,12H2,1-3H3,(H,19,20,22)
InChIKeyKWNDQQLUJLHIKL-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.72
Rot. Bonds7

About 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide (PubChem CID 24981082) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide
PubChem CID24981082
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13(2)12-17(18(22)20-15-8-10-19-11-9-15)21-25(23,24)16-6-4-14(3)5-7-16/h4-11,13,17,21H,12H2,1-3H3,(H,19,20,22)
InChIKeyKWNDQQLUJLHIKL-UHFFFAOYSA-N
XLogP2.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide (CID 24981082) is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide?
The InChIKey is KWNDQQLUJLHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13(2)12-17(18(22)20-15-8-10-19-11-9-15)21-25(23,24)16-6-4-14(3)5-7-16/h4-11,13,17,21H,12H2,1-3H3,(H,19,20,22).
What are the key properties of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide?
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide has a molecular weight of 361.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide is sourced from PubChem (CID 24981082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).