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

C26H25N3O5S — CID 3604832

IUPACN-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1
InChIInChI=1S/C26H25N3O5S/c1-3-34-20-11-9-19(10-12-20)29(2)35(32,33)21-13-14-24-22(15-21)25(30)23(17-27-24)26(31)28-16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyKWDQIGOHYMYEIT-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.68
Rot. Bonds8

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

N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3604832) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3604832
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC NameN-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1
InChIInChI=1S/C26H25N3O5S/c1-3-34-20-11-9-19(10-12-20)29(2)35(32,33)21-13-14-24-22(15-21)25(30)23(17-27-24)26(31)28-16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyKWDQIGOHYMYEIT-UHFFFAOYSA-N
XLogP3.68
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
Sulfonamide-01
CID 11532283
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
N-(4-methoxyphenyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239722
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
N-(4-{[(4-methoxyphenyl)amino]sulfonyl}naphthyl)benzamide
CID 3384970
N-Cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 15990893
2-(4-Methoxy-benzenesulfonylamino)-N-((S)-1-phenyl-propyl)-benzamide
CID 44327937
5-Methoxy-N-((S)-1-phenyl-propyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328298
2-[3-(4-Methoxy-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1076709
2-[(4-Acetylamino-benzenesulfonyl)-(4-methoxy-phenyl)-amino]-N-(3-acetyl-phenyl)-acetamide
CID 1105743
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholinomethyl)benzamide
CID 1163593

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 3604832) is N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1.
What is the InChIKey of N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is KWDQIGOHYMYEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-3-34-20-11-9-19(10-12-20)29(2)35(32,33)21-13-14-24-22(15-21)25(30)23(17-27-24)26(31)28-16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(4-ethoxyphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3604832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).