N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide

C26H29N3O5S — CID 26348763

IUPACN-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide
SMILESCOc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C26H29N3O5S/c1-19-23(15-28-35(31,32)18-20-8-4-3-5-9-20)22-12-13-29(16-21(22)14-27-19)26(30)17-34-25-11-7-6-10-24(25)33-2/h3-11,14,28H,12-13,15-18H2,1-2H3
InChIKeyYNVXEJCCYJDGQT-UHFFFAOYSA-N
MW495.60 g/mol
LogP2.98
Rot. Bonds9

About N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide

N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 26348763) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID26348763
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide
SMILESCOc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C26H29N3O5S/c1-19-23(15-28-35(31,32)18-20-8-4-3-5-9-20)22-12-13-29(16-21(22)14-27-19)26(30)17-34-25-11-7-6-10-24(25)33-2/h3-11,14,28H,12-13,15-18H2,1-2H3
InChIKeyYNVXEJCCYJDGQT-UHFFFAOYSA-N
XLogP2.98
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
CID 45187486
N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]ethanesulfonamide
CID 42340499
N-[[7-[2-(2-chlorophenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
CID 26277388
N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42167370
N-[[7-[2-(2-chlorophenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42168152
N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 56853616
N-[[3-methyl-7-(2,3,6-trifluorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
CID 42340710
N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42379499
N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42358044
N-[[7-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 42399137
N-[[7-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzenesulfonamide
CID 42212379
(E)-N-[[3-methyl-7-(2-pyrrolidin-1-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
CID 42432655

Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide (CID 26348763) is N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide is COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNS(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is YNVXEJCCYJDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-19-23(15-28-35(31,32)18-20-8-4-3-5-9-20)22-12-13-29(16-21(22)14-27-19)26(30)17-34-25-11-7-6-10-24(25)33-2/h3-11,14,28H,12-13,15-18H2,1-2H3.
What are the key properties of N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide?
N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 26348763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).