N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide

C26H24FN3O4S — CID 46686298

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1
InChIInChI=1S/C26H24FN3O4S/c1-4-30(19-8-6-5-7-9-19)35(32,33)20-11-13-25(34-3)24(16-20)29-26(31)22-14-17(2)28-23-15-18(27)10-12-21(22)23/h5-16H,4H2,1-3H3,(H,29,31)
InChIKeyGYDCAFBXOJVEFA-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.16
Rot. Bonds7

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 46686298) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID46686298
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1
InChIInChI=1S/C26H24FN3O4S/c1-4-30(19-8-6-5-7-9-19)35(32,33)20-11-13-25(34-3)24(16-20)29-26(31)22-14-17(2)28-23-15-18(27)10-12-21(22)23/h5-16H,4H2,1-3H3,(H,29,31)
InChIKeyGYDCAFBXOJVEFA-UHFFFAOYSA-N
XLogP5.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide (CID 46686298) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is GYDCAFBXOJVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c1-4-30(19-8-6-5-7-9-19)35(32,33)20-11-13-25(34-3)24(16-20)29-26(31)22-14-17(2)28-23-15-18(27)10-12-21(22)23/h5-16H,4H2,1-3H3,(H,29,31).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46686298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).