6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide

C22H25N3O5S — CID 3242830

IUPAC6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1
InChIInChI=1S/C22H25N3O5S/c1-14(2)9-10-23-22(27)19-13-24-20-8-7-17(12-18(20)21(19)26)31(28,29)25-15-5-4-6-16(11-15)30-3/h4-8,11-14,25H,9-10H2,1-3H3,(H,23,27)(H,24,26)
InChIKeySJAFBJKSOYEVCL-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.11
Rot. Bonds8

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

6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3242830) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3242830
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1
InChIInChI=1S/C22H25N3O5S/c1-14(2)9-10-23-22(27)19-13-24-20-8-7-17(12-18(20)21(19)26)31(28,29)25-15-5-4-6-16(11-15)30-3/h4-8,11-14,25H,9-10H2,1-3H3,(H,23,27)(H,24,26)
InChIKeySJAFBJKSOYEVCL-UHFFFAOYSA-N
XLogP3.11
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide (CID 3242830) is 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide is COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SJAFBJKSOYEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-14(2)9-10-23-22(27)19-13-24-20-8-7-17(12-18(20)21(19)26)31(28,29)25-15-5-4-6-16(11-15)30-3/h4-8,11-14,25H,9-10H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3242830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).