6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide

C24H29N3O5S — CID 5047434

IUPAC6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide
SMILESCCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O
InChIInChI=1S/C24H29N3O5S/c1-4-6-7-14-25-24(29)21-16-26-22-13-12-19(15-20(22)23(21)28)33(30,31)27(3)17-8-10-18(11-9-17)32-5-2/h8-13,15-16H,4-7,14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyQACHASFKWQWFFX-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.67
Rot. Bonds10

About 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide

6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide (PubChem CID 5047434) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide
PubChem CID5047434
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide
SMILESCCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O
InChIInChI=1S/C24H29N3O5S/c1-4-6-7-14-25-24(29)21-16-26-22-13-12-19(15-20(22)23(21)28)33(30,31)27(3)17-8-10-18(11-9-17)32-5-2/h8-13,15-16H,4-7,14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyQACHASFKWQWFFX-UHFFFAOYSA-N
XLogP3.67
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide (CID 5047434) is 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide is CCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O.
What is the InChIKey of 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide?
The InChIKey is QACHASFKWQWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-4-6-7-14-25-24(29)21-16-26-22-13-12-19(15-20(22)23(21)28)33(30,31)27(3)17-8-10-18(11-9-17)32-5-2/h8-13,15-16H,4-7,14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide?
6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-pentyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 5047434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).