N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

C23H20N4O5S — CID 55350263

IUPACN-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H20N4O5S/c1-15(27-33(30,31)16-8-3-2-4-9-16)22(28)25-26-23(29)18-14-20(21-12-7-13-32-21)24-19-11-6-5-10-17(18)19/h2-15,27H,1H3,(H,25,28)(H,26,29)
InChIKeyXMSWLQRXEFXAED-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.62
Rot. Bonds6

About N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 55350263) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID55350263
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC NameN-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H20N4O5S/c1-15(27-33(30,31)16-8-3-2-4-9-16)22(28)25-26-23(29)18-14-20(21-12-7-13-32-21)24-19-11-6-5-10-17(18)19/h2-15,27H,1H3,(H,25,28)(H,26,29)
InChIKeyXMSWLQRXEFXAED-UHFFFAOYSA-N
XLogP2.62
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
1-[3-(dimethylsulfamoyl)phenyl]-3-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]thiourea
CID 42992799
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (CID 55350263) is N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is XMSWLQRXEFXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-15(27-33(30,31)16-8-3-2-4-9-16)22(28)25-26-23(29)18-14-20(21-12-7-13-32-21)24-19-11-6-5-10-17(18)19/h2-15,27H,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 464.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 55350263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).