N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

C27H27N3O4S — CID 50792939

IUPACN-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C27H27N3O4S/c1-16-10-17(2)12-21(11-16)29-25(31)15-30-14-24(26(32)23-9-7-20(5)28-27(23)30)35(33,34)22-8-6-18(3)19(4)13-22/h6-14H,15H2,1-5H3,(H,29,31)
InChIKeyGONRNWMNNMTPMV-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.41
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 50792939) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID50792939
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C27H27N3O4S/c1-16-10-17(2)12-21(11-16)29-25(31)15-30-14-24(26(32)23-9-7-20(5)28-27(23)30)35(33,34)22-8-6-18(3)19(4)13-22/h6-14H,15H2,1-5H3,(H,29,31)
InChIKeyGONRNWMNNMTPMV-UHFFFAOYSA-N
XLogP4.41
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.41
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-(3-fluoro-4-methylphenyl)acetamide
CID 50793120
2-[3-(2,5-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-ethylphenyl)acetamide
CID 50793014
2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50793069
2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 50793106
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-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950215
2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20869270
N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929548
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide
CID 50793149
N-(4-chlorophenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2137845
2-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16815540

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 50792939) is N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccc(C)nc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is GONRNWMNNMTPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-16-10-17(2)12-21(11-16)29-25(31)15-30-14-24(26(32)23-9-7-20(5)28-27(23)30)35(33,34)22-8-6-18(3)19(4)13-22/h6-14H,15H2,1-5H3,(H,29,31).
What are the key properties of N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 489.60 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 50792939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).