6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide

C22H25N3O6S — CID 20854286

IUPAC6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC)c(=O)c3c2)cc1
InChIInChI=1S/C22H25N3O6S/c1-3-31-16-7-5-15(6-8-16)25-32(28,29)17-9-10-20-18(13-17)21(26)19(14-24-20)22(27)23-11-4-12-30-2/h5-10,13-14,25H,3-4,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyXDUGIDFSXLEZPG-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.49
Rot. Bonds10

About 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide

6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 20854286) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID20854286
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC)c(=O)c3c2)cc1
InChIInChI=1S/C22H25N3O6S/c1-3-31-16-7-5-15(6-8-16)25-32(28,29)17-9-10-20-18(13-17)21(26)19(14-24-20)22(27)23-11-4-12-30-2/h5-10,13-14,25H,3-4,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyXDUGIDFSXLEZPG-UHFFFAOYSA-N
XLogP2.49
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3679674
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990653
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3522692
2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
CID 19844106
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4100412
N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 3293430
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981139
2-[(6-ethoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl-diethylazanium
CID 7391284
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide (CID 20854286) is 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC)c(=O)c3c2)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XDUGIDFSXLEZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-3-31-16-7-5-15(6-8-16)25-32(28,29)17-9-10-20-18(13-17)21(26)19(14-24-20)22(27)23-11-4-12-30-2/h5-10,13-14,25H,3-4,11-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide?
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 2.49, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 20854286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).