N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide

C30H26N4O4S — CID 4216551

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C30H26N4O4S/c1-3-34(21-11-5-4-6-12-21)39(36,37)22-16-17-29(38-2)28(19-22)33-30(35)24-20-27(26-15-9-10-18-31-26)32-25-14-8-7-13-23(24)25/h4-20H,3H2,1-2H3,(H,33,35)
InChIKeyFTDVMQYEOGLGKA-UHFFFAOYSA-N
MW538.63 g/mol
LogP5.77
Rot. Bonds8

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 4216551) has the molecular formula C30H26N4O4S and a molecular weight of 538.63 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID4216551
Molecular FormulaC30H26N4O4S
Molecular Weight538.63 g/mol
Exact Mass538.17
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C30H26N4O4S/c1-3-34(21-11-5-4-6-12-21)39(36,37)22-16-17-29(38-2)28(19-22)33-30(35)24-20-27(26-15-9-10-18-31-26)32-25-14-8-7-13-23(24)25/h4-20H,3H2,1-2H3,(H,33,35)
InChIKeyFTDVMQYEOGLGKA-UHFFFAOYSA-N
XLogP5.77
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.63
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
2-(2,4-dimethylphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-4-carboxamide
CID 26205359
1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea
CID 1297140
1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
CID 16547973
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 5167164
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23913495
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
CID 55600473
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 4216551) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is FTDVMQYEOGLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4S/c1-3-34(21-11-5-4-6-12-21)39(36,37)22-16-17-29(38-2)28(19-22)33-30(35)24-20-27(26-15-9-10-18-31-26)32-25-14-8-7-13-23(24)25/h4-20H,3H2,1-2H3,(H,33,35).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 5.77, 8 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]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4216551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).