4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide

C27H27N3O4S — CID 19093688

IUPAC4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
SMILESCCc1cc2c(ccc(=O)n2Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2)c(CC)n1
InChIInChI=1S/C27H27N3O4S/c1-4-21-16-24-22(23(5-2)28-21)14-15-26(31)30(24)17-19-10-12-20(13-11-19)27(32)29-35(33,34)25-9-7-6-8-18(25)3/h6-16H,4-5,17H2,1-3H3,(H,29,32)
InChIKeyHRNYGNNXUITSLV-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.00
Rot. Bonds7

About 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide

4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide (PubChem CID 19093688) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
PubChem CID19093688
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
SMILESCCc1cc2c(ccc(=O)n2Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2)c(CC)n1
InChIInChI=1S/C27H27N3O4S/c1-4-21-16-24-22(23(5-2)28-21)14-15-26(31)30(24)17-19-10-12-20(13-11-19)27(32)29-35(33,34)25-9-7-6-8-18(25)3/h6-16H,4-5,17H2,1-3H3,(H,29,32)
InChIKeyHRNYGNNXUITSLV-UHFFFAOYSA-N
XLogP4.00
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide
CID 19093738
2-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]anilino]phenyl]acetic acid
CID 18952400
4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 19806375
2-[[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenoxy]methyl]benzoic acid
CID 19093739
2-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]pyrrol-2-yl]-2-phenylacetic acid
CID 57019356
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide
CID 25050812
N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
CID 19806374
5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride
CID 19093788
N-[2-[4-[(2-butyl-5,6-dimethylimidazo[1,2-b][1,2,4]triazol-3-yl)methyl]phenyl]phenyl]sulfonylbenzamide
CID 19779413
6-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-5-ethyl-7-oxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxylic acid
CID 19769518
potassium N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide
CID 23717741

Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The IUPAC name of 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide (CID 19093688) is 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide is CCc1cc2c(ccc(=O)n2Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2)c(CC)n1.
What is the InChIKey of 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The InChIKey is HRNYGNNXUITSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-4-21-16-24-22(23(5-2)28-21)14-15-26(31)30(24)17-19-10-12-20(13-11-19)27(32)29-35(33,34)25-9-7-6-8-18(25)3/h6-16H,4-5,17H2,1-3H3,(H,29,32).
What are the key properties of 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide has a molecular weight of 489.60 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 19093688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).