N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

C24H29N3O5S — CID 3293430

IUPACN-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O
InChIInChI=1S/C24H29N3O5S/c1-16(2)17-6-8-18(9-7-17)27(3)33(30,31)19-10-11-22-20(14-19)23(28)21(15-26-22)24(29)25-12-5-13-32-4/h6-11,14-16H,5,12-13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyMKBGORFMINNMDT-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.24
Rot. Bonds9

About N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3293430) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3293430
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O
InChIInChI=1S/C24H29N3O5S/c1-16(2)17-6-8-18(9-7-17)27(3)33(30,31)19-10-11-22-20(14-19)23(28)21(15-26-22)24(29)25-12-5-13-32-4/h6-11,14-16H,5,12-13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyMKBGORFMINNMDT-UHFFFAOYSA-N
XLogP3.24
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3371833
N-butyl-6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 126479543
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-4-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
CID 3465923
N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4615282
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
6-[(4-ethylphenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3435383
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 3519999
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
CID 2224678
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78816525

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 3293430) is N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is COCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MKBGORFMINNMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-16(2)17-6-8-18(9-7-17)27(3)33(30,31)19-10-11-22-20(14-19)23(28)21(15-26-22)24(29)25-12-5-13-32-4/h6-11,14-16H,5,12-13H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3293430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).