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

C22H23N3O5S — CID 15994896

IUPACN-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCC4)c(=O)c3c2)c1
InChIInChI=1S/C22H23N3O5S/c1-30-16-8-4-7-15(11-16)25-31(28,29)17-9-10-20-18(12-17)21(26)19(13-23-20)22(27)24-14-5-2-3-6-14/h4,7-14,25H,2-3,5-6H2,1H3,(H,23,26)(H,24,27)
InChIKeyZDUQPWFMIPVGMJ-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.01
Rot. Bonds6

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

N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 15994896) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID15994896
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCC4)c(=O)c3c2)c1
InChIInChI=1S/C22H23N3O5S/c1-30-16-8-4-7-15(11-16)25-31(28,29)17-9-10-20-18(12-17)21(26)19(13-23-20)22(27)24-14-5-2-3-6-14/h4,7-14,25H,2-3,5-6H2,1H3,(H,23,26)(H,24,27)
InChIKeyZDUQPWFMIPVGMJ-UHFFFAOYSA-N
XLogP3.01
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 15994896) is N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCC4)c(=O)c3c2)c1.
What is the InChIKey of N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZDUQPWFMIPVGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-30-16-8-4-7-15(11-16)25-31(28,29)17-9-10-20-18(12-17)21(26)19(13-23-20)22(27)24-14-5-2-3-6-14/h4,7-14,25H,2-3,5-6H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 15994896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).