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

C27H27N3O4S — CID 19093738

IUPACN-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide
SMILESCCc1cc2c(ccc(=O)n2Cc2ccc(-c3ccccc3S(=O)(=O)NC(C)=O)cc2)c(CC)n1
InChIInChI=1S/C27H27N3O4S/c1-4-21-16-25-23(24(5-2)28-21)14-15-27(32)30(25)17-19-10-12-20(13-11-19)22-8-6-7-9-26(22)35(33,34)29-18(3)31/h6-16H,4-5,17H2,1-3H3,(H,29,31)
InChIKeyJJZGPBSOKPXHAZ-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.06
Rot. Bonds7

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

N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide (PubChem CID 19093738) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide
PubChem CID19093738
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide
SMILESCCc1cc2c(ccc(=O)n2Cc2ccc(-c3ccccc3S(=O)(=O)NC(C)=O)cc2)c(CC)n1
InChIInChI=1S/C27H27N3O4S/c1-4-21-16-25-23(24(5-2)28-21)14-15-27(32)30(25)17-19-10-12-20(13-11-19)22-8-6-7-9-26(22)35(33,34)29-18(3)31/h6-16H,4-5,17H2,1-3H3,(H,29,31)
InChIKeyJJZGPBSOKPXHAZ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 19093688
N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide
CID 68720224
2-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]anilino]phenyl]acetic acid
CID 18952400
2-[[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenoxy]methyl]benzoic acid
CID 19093739
(2S)-N-[[3-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2-ethoxy-5-ethylimidazol-4-yl]methyl]-4-methyl-2-sulfanylpentanamide
CID 87218797
2-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]pyrrol-2-yl]-2-phenylacetic acid
CID 57019356
3-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2-butylimidazole-4-carboxylic acid
CID 68718342
5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride
CID 19093788
3-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-7-methyl-N-(4-methyl-1-sulfanylpentan-2-yl)-2-propylbenzimidazole-5-carboxamide
CID 72582937
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylbutanamide
CID 10028545
1-[2-[4-[(5-acetyl-2-butyl-4-methylsulfanylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-3-propylurea
CID 67559771
3-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]imidazole-4-carboxamide
CID 87218862

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide (CID 19093738) is N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide is CCc1cc2c(ccc(=O)n2Cc2ccc(-c3ccccc3S(=O)(=O)NC(C)=O)cc2)c(CC)n1.
What is the InChIKey of N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide?
The InChIKey is JJZGPBSOKPXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-4-21-16-25-23(24(5-2)28-21)14-15-27(32)30(25)17-19-10-12-20(13-11-19)22-8-6-7-9-26(22)35(33,34)29-18(3)31/h6-16H,4-5,17H2,1-3H3,(H,29,31).
What are the key properties of N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide?
N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide has a molecular weight of 489.60 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 19093738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).