N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C26H26N2O6S — CID 16556968

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)c1
InChIInChI=1S/C26H26N2O6S/c1-4-28(19-11-6-5-7-12-19)35(31,32)20-14-15-23(33-3)22(16-20)27-25(30)26(2)17-18-10-8-9-13-21(18)24(29)34-26/h5-16H,4,17H2,1-3H3,(H,27,30)
InChIKeyZTBYNGIHCJDIJU-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.02
Rot. Bonds7

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 16556968) has the molecular formula C26H26N2O6S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID16556968
Molecular FormulaC26H26N2O6S
Molecular Weight494.57 g/mol
Exact Mass494.15
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)c1
InChIInChI=1S/C26H26N2O6S/c1-4-28(19-11-6-5-7-12-19)35(31,32)20-14-15-23(33-3)22(16-20)27-25(30)26(2)17-18-10-8-9-13-21(18)24(29)34-26/h5-16H,4,17H2,1-3H3,(H,27,30)
InChIKeyZTBYNGIHCJDIJU-UHFFFAOYSA-N
XLogP4.02
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(2-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 7263264
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 43024499
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
CID 4826047
1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4553215
(3S)-1-cyclopropyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26008131
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 4833486
1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
CID 16547973
3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
CID 4881999
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 16556968) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is ZTBYNGIHCJDIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6S/c1-4-28(19-11-6-5-7-12-19)35(31,32)20-14-15-23(33-3)22(16-20)27-25(30)26(2)17-18-10-8-9-13-21(18)24(29)34-26/h5-16H,4,17H2,1-3H3,(H,27,30).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 16556968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).