N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide

C26H25N3O3S — CID 1306259

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H25N3O3S/c1-3-29(4-2)33(31,32)21-16-14-20(15-17-21)27-26(30)23-18-25(19-10-6-5-7-11-19)28-24-13-9-8-12-22(23)24/h5-18H,3-4H2,1-2H3,(H,27,30)
InChIKeyVRBFBZLCEMASTI-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.18
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide (PubChem CID 1306259) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
PubChem CID1306259
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H25N3O3S/c1-3-29(4-2)33(31,32)21-16-14-20(15-17-21)27-26(30)23-18-25(19-10-6-5-7-11-19)28-24-13-9-8-12-22(23)24/h5-18H,3-4H2,1-2H3,(H,27,30)
InChIKeyVRBFBZLCEMASTI-UHFFFAOYSA-N
XLogP5.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pavinetant
CID 23649245
SB 222200
CID 6604009
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
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CID 775717
Indolyl quinolinone deriv. 14
CID 5329380
3-[5-(piperazine-1-sulfonyl)-1H-indol-2-yl]-1,2-dihydroquinolin-2-one
CID 5329381
4-Quinolinecarboxamide, N-((S)-cyclopropylphenylmethyl)-3-((methyl(methylsulfonyl)amino)methyl)-2-phenyl-
CID 44570980
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-phenylquinoline-4-carboxamide
CID 11569867
N-(4-(methylsulfonyl)phenyl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865627
N''-[3-(4-benzenesulfonyl-piperazin-1-ylmethyl)-2-phenyl-quinoline-4-carbonyl]-N-phenyl-hydrazinecarboxylic acid methyl ester
CID 44418982
Cambridge id 7007502
CID 753478
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide (CID 1306259) is N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is VRBFBZLCEMASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-3-29(4-2)33(31,32)21-16-14-20(15-17-21)27-26(30)23-18-25(19-10-6-5-7-11-19)28-24-13-9-8-12-22(23)24/h5-18H,3-4H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1306259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).