6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide

C24H29N3O4S — CID 5216666

IUPAC6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)CCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C24H29N3O4S/c1-4-27(5-2)32(30,31)19-13-14-22-20(15-19)23(28)21(16-25-22)24(29)26-17(3)11-12-18-9-7-6-8-10-18/h6-10,13-17H,4-5,11-12H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyJRWLSJNDAGAWLW-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.31
Rot. Bonds9

About 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide

6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide (PubChem CID 5216666) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
PubChem CID5216666
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)CCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C24H29N3O4S/c1-4-27(5-2)32(30,31)19-13-14-22-20(15-19)23(28)21(16-25-22)24(29)26-17(3)11-12-18-9-7-6-8-10-18/h6-10,13-17H,4-5,11-12H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyJRWLSJNDAGAWLW-UHFFFAOYSA-N
XLogP3.31
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide (CID 5216666) is 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)CCc3ccccc3)c(=O)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide?
The InChIKey is JRWLSJNDAGAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-4-27(5-2)32(30,31)19-13-14-22-20(15-19)23(28)21(16-25-22)24(29)26-17(3)11-12-18-9-7-6-8-10-18/h6-10,13-17H,4-5,11-12H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide?
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 5216666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).