6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide

C23H21N3O5S — CID 3244852

IUPAC6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)c1
InChIInChI=1S/C23H21N3O5S/c1-14-8-15(2)10-16(9-14)26-32(29,30)18-5-6-21-19(11-18)22(27)20(13-24-21)23(28)25-12-17-4-3-7-31-17/h3-11,13,26H,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyISALGMVRJMVITH-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.47
Rot. Bonds6

About 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide

6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3244852) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3244852
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)c1
InChIInChI=1S/C23H21N3O5S/c1-14-8-15(2)10-16(9-14)26-32(29,30)18-5-6-21-19(11-18)22(27)20(13-24-21)23(28)25-12-17-4-3-7-31-17/h3-11,13,26H,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyISALGMVRJMVITH-UHFFFAOYSA-N
XLogP3.47
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide (CID 3244852) is 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)c1.
What is the InChIKey of 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ISALGMVRJMVITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-14-8-15(2)10-16(9-14)26-32(29,30)18-5-6-21-19(11-18)22(27)20(13-24-21)23(28)25-12-17-4-3-7-31-17/h3-11,13,26H,12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3244852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).