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

C25H23N3O5S — CID 15990651

IUPACN-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1
InChIInChI=1S/C25H23N3O5S/c1-2-33-19-10-8-18(9-11-19)28-34(31,32)20-12-13-23-21(14-20)24(29)22(16-26-23)25(30)27-15-17-6-4-3-5-7-17/h3-14,16,28H,2,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyGOGBEYZSWFSBPU-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.66
Rot. Bonds8

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

N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 15990651) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID15990651
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC NameN-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1
InChIInChI=1S/C25H23N3O5S/c1-2-33-19-10-8-18(9-11-19)28-34(31,32)20-12-13-23-21(14-20)24(29)22(16-26-23)25(30)27-15-17-6-4-3-5-7-17/h3-14,16,28H,2,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyGOGBEYZSWFSBPU-UHFFFAOYSA-N
XLogP3.66
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.66
H-Bond Donors ≤ 53
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)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 15990651) is N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1.
What is the InChIKey of N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GOGBEYZSWFSBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-2-33-19-10-8-18(9-11-19)28-34(31,32)20-12-13-23-21(14-20)24(29)22(16-26-23)25(30)27-15-17-6-4-3-5-7-17/h3-14,16,28H,2,15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 15990651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).