N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide

C20H17N3O5S — CID 18230196

IUPACN-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3cccc(NC(=O)c4ccco4)c3)ccc2N1
InChIInChI=1S/C20H17N3O5S/c24-19-9-6-13-11-16(7-8-17(13)22-19)29(26,27)23-15-4-1-3-14(12-15)21-20(25)18-5-2-10-28-18/h1-5,7-8,10-12,23H,6,9H2,(H,21,25)(H,22,24)
InChIKeyQIVYAWPYXGSNOV-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.22
Rot. Bonds5

About N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide

N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide (PubChem CID 18230196) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide
PubChem CID18230196
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC NameN-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3cccc(NC(=O)c4ccco4)c3)ccc2N1
InChIInChI=1S/C20H17N3O5S/c24-19-9-6-13-11-16(7-8-17(13)22-19)29(26,27)23-15-4-1-3-14(12-15)21-20(25)18-5-2-10-28-18/h1-5,7-8,10-12,23H,6,9H2,(H,21,25)(H,22,24)
InChIKeyQIVYAWPYXGSNOV-UHFFFAOYSA-N
XLogP3.22
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27993658
N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 18147069
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
N-[3-(hydroxymethyl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9067979
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 29373934
N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
CID 55676569
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8844859
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 56643198

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide (CID 18230196) is N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide is O=C1CCc2cc(S(=O)(=O)Nc3cccc(NC(=O)c4ccco4)c3)ccc2N1.
What is the InChIKey of N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide?
The InChIKey is QIVYAWPYXGSNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c24-19-9-6-13-11-16(7-8-17(13)22-19)29(26,27)23-15-4-1-3-14(12-15)21-20(25)18-5-2-10-28-18/h1-5,7-8,10-12,23H,6,9H2,(H,21,25)(H,22,24).
What are the key properties of N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide?
N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 18230196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).