N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide

C23H26FN3O4S — CID 46686472

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C23H26FN3O4S/c1-5-27(6-2)32(29,30)17-9-11-22(31-7-3)21(14-17)26-23(28)19-12-15(4)25-20-13-16(24)8-10-18(19)20/h8-14H,5-7H2,1-4H3,(H,26,28)
InChIKeyLJAMZDWQEFJOQG-UHFFFAOYSA-N
MW459.54 g/mol
LogP4.36
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 46686472) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID46686472
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C23H26FN3O4S/c1-5-27(6-2)32(29,30)17-9-11-22(31-7-3)21(14-17)26-23(28)19-12-15(4)25-20-13-16(24)8-10-18(19)20/h8-14H,5-7H2,1-4H3,(H,26,28)
InChIKeyLJAMZDWQEFJOQG-UHFFFAOYSA-N
XLogP4.36
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686523
N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686426
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 24509300
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
CID 26891825
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 39119523
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 28548744
N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373387

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide (CID 46686472) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(C)nc2cc(F)ccc12.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is LJAMZDWQEFJOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-5-27(6-2)32(29,30)17-9-11-22(31-7-3)21(14-17)26-23(28)19-12-15(4)25-20-13-16(24)8-10-18(19)20/h8-14H,5-7H2,1-4H3,(H,26,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 459.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46686472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).