2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide

C18H23N3O4S — CID 53161458

IUPAC2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C18H23N3O4S/c1-4-11-19-17(22)12-21-14(3)7-10-16(18(21)23)20-26(24,25)15-8-5-13(2)6-9-15/h5-10,20H,4,11-12H2,1-3H3,(H,19,22)
InChIKeyBKNYIRUGFISNCP-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.79
Rot. Bonds7

About 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide

2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide (PubChem CID 53161458) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
PubChem CID53161458
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C18H23N3O4S/c1-4-11-19-17(22)12-21-14(3)7-10-16(18(21)23)20-26(24,25)15-8-5-13(2)6-9-15/h5-10,20H,4,11-12H2,1-3H3,(H,19,22)
InChIKeyBKNYIRUGFISNCP-UHFFFAOYSA-N
XLogP1.79
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide (CID 53161458) is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide is CCCNC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O.
What is the InChIKey of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The InChIKey is BKNYIRUGFISNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-11-19-17(22)12-21-14(3)7-10-16(18(21)23)20-26(24,25)15-8-5-13(2)6-9-15/h5-10,20H,4,11-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide has a molecular weight of 377.47 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 53161458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).