4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide

C17H20N2O3S — CID 145138139

IUPAC4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13(2)6-7-17(20)19-23(21,22)16-5-3-4-15(12-16)14-8-10-18-11-9-14/h3-5,8-13H,6-7H2,1-2H3,(H,19,20)
InChIKeyVYXJSUMFKFJVST-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.99
Rot. Bonds6

About 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide

4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide (PubChem CID 145138139) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide.

Molecular Properties

Compound Name4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
PubChem CID145138139
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13(2)6-7-17(20)19-23(21,22)16-5-3-4-15(12-16)14-8-10-18-11-9-14/h3-5,8-13H,6-7H2,1-2H3,(H,19,20)
InChIKeyVYXJSUMFKFJVST-UHFFFAOYSA-N
XLogP2.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The IUPAC name of 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide (CID 145138139) is 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide.
What is the SMILES notation for 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The canonical SMILES for 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide is CC(C)CCC(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1.
What is the InChIKey of 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The InChIKey is VYXJSUMFKFJVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(2)6-7-17(20)19-23(21,22)16-5-3-4-15(12-16)14-8-10-18-11-9-14/h3-5,8-13H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide has a molecular weight of 332.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide is sourced from PubChem (CID 145138139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).