N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide

C22H20N4O3S — CID 67564353

IUPACN-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide
SMILESCc1nc2c(cc1NS(C)(=O)=O)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C22H20N4O3S/c1-15-19(25-30(2,28)29)13-18-20(27)14-21(24-16-9-5-3-6-10-16)26(22(18)23-15)17-11-7-4-8-12-17/h3-14,24-25H,1-2H3
InChIKeyDUTXDODTXAGVRM-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.81
Rot. Bonds5

About N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide

N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide (PubChem CID 67564353) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide
PubChem CID67564353
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide
SMILESCc1nc2c(cc1NS(C)(=O)=O)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C22H20N4O3S/c1-15-19(25-30(2,28)29)13-18-20(27)14-21(24-16-9-5-3-6-10-16)26(22(18)23-15)17-11-7-4-8-12-17/h3-14,24-25H,1-2H3
InChIKeyDUTXDODTXAGVRM-UHFFFAOYSA-N
XLogP3.81
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide?
The IUPAC name of N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide (CID 67564353) is N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide?
The canonical SMILES for N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide is Cc1nc2c(cc1NS(C)(=O)=O)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide?
The InChIKey is DUTXDODTXAGVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-15-19(25-30(2,28)29)13-18-20(27)14-21(24-16-9-5-3-6-10-16)26(22(18)23-15)17-11-7-4-8-12-17/h3-14,24-25H,1-2H3.
What are the key properties of N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide?
N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide is sourced from PubChem (CID 67564353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).