N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

C25H23N3O4S — CID 20950215

IUPACN-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccccc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C25H23N3O4S/c1-17-8-11-20(12-9-17)33(31,32)22-15-28(25-21(24(22)30)13-10-18(2)27-25)16-23(29)26-14-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3,(H,26,29)
InChIKeyVXXKUKONTYVGSF-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.16
Rot. Bonds6

About N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 20950215) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID20950215
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC NameN-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccccc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C25H23N3O4S/c1-17-8-11-20(12-9-17)33(31,32)22-15-28(25-21(24(22)30)13-10-18(2)27-25)16-23(29)26-14-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3,(H,26,29)
InChIKeyVXXKUKONTYVGSF-UHFFFAOYSA-N
XLogP3.16
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide
CID 50793149
N-(2-fluorophenyl)-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950196
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20950165
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide
CID 50792885
2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 50793106
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 50793120
1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
CID 20950265
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
N-benzyl-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929725
2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50793069
N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929809

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 20950215) is N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccccc3)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is VXXKUKONTYVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-17-8-11-20(12-9-17)33(31,32)22-15-28(25-21(24(22)30)13-10-18(2)27-25)16-23(29)26-14-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3,(H,26,29).
What are the key properties of N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 20950215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).