6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide

C22H25N3O5S — CID 3236487

IUPAC6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC)CC)c(=O)c3c2)cc1
InChIInChI=1S/C22H25N3O5S/c1-4-25(5-2)22(27)19-14-23-20-12-11-17(13-18(20)21(19)26)31(28,29)24-15-7-9-16(10-8-15)30-6-3/h7-14,24H,4-6H2,1-3H3,(H,23,26)
InChIKeyYXSXNEDTMVHDOJ-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.21
Rot. Bonds8

About 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide

6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3236487) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3236487
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC)CC)c(=O)c3c2)cc1
InChIInChI=1S/C22H25N3O5S/c1-4-25(5-2)22(27)19-14-23-20-12-11-17(13-18(20)21(19)26)31(28,29)24-15-7-9-16(10-8-15)30-6-3/h7-14,24H,4-6H2,1-3H3,(H,23,26)
InChIKeyYXSXNEDTMVHDOJ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide (CID 3236487) is 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC)CC)c(=O)c3c2)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YXSXNEDTMVHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-25(5-2)22(27)19-14-23-20-12-11-17(13-18(20)21(19)26)31(28,29)24-15-7-9-16(10-8-15)30-6-3/h7-14,24H,4-6H2,1-3H3,(H,23,26).
What are the key properties of 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide?
6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3236487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).