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

C22H25N3O5S — CID 3241453

IUPAC6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O
InChIInChI=1S/C22H25N3O5S/c1-4-12-23-22(27)19-14-24-20-11-10-17(13-18(20)21(19)26)31(28,29)25(3)15-6-8-16(9-7-15)30-5-2/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyLTEKYZOLYJOVKG-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.89
Rot. Bonds8

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

6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide (PubChem CID 3241453) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
PubChem CID3241453
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O
InChIInChI=1S/C22H25N3O5S/c1-4-12-23-22(27)19-14-24-20-11-10-17(13-18(20)21(19)26)31(28,29)25(3)15-6-8-16(9-7-15)30-5-2/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyLTEKYZOLYJOVKG-UHFFFAOYSA-N
XLogP2.89
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide (CID 3241453) is 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide is CCCNC(=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-propyl-1H-quinoline-3-carboxamide?
The InChIKey is LTEKYZOLYJOVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-12-23-22(27)19-14-24-20-11-10-17(13-18(20)21(19)26)31(28,29)25(3)15-6-8-16(9-7-15)30-5-2/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 2.89, 8 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-propyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3241453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).