2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide

C24H21N3O4S — CID 50792885

IUPAC2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide
SMILESCc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)N(C)c3ccccc3)c2n1
InChIInChI=1S/C24H21N3O4S/c1-17-13-14-20-23(29)21(32(30,31)19-11-7-4-8-12-19)15-27(24(20)25-17)16-22(28)26(2)18-9-5-3-6-10-18/h3-15H,16H2,1-2H3
InChIKeyYGPFULUAQYUZFV-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.20
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 50792885) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID50792885
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide
SMILESCc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)N(C)c3ccccc3)c2n1
InChIInChI=1S/C24H21N3O4S/c1-17-13-14-20-23(29)21(32(30,31)19-11-7-4-8-12-19)15-27(24(20)25-17)16-22(28)26(2)18-9-5-3-6-10-18/h3-15H,16H2,1-2H3
InChIKeyYGPFULUAQYUZFV-UHFFFAOYSA-N
XLogP3.20
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide (CID 50792885) is 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide is Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)N(C)c3ccccc3)c2n1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is YGPFULUAQYUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-17-13-14-20-23(29)21(32(30,31)19-11-7-4-8-12-19)15-27(24(20)25-17)16-22(28)26(2)18-9-5-3-6-10-18/h3-15H,16H2,1-2H3.
What are the key properties of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide?
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 447.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 50792885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).