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

C27H29N3O3S — CID 158402633

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
SMILESC.CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H25N3O3S.CH4/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);1H4
InChIKeyGYHFXWGBEVTBBO-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.82
Rot. Bonds7

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

N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane (PubChem CID 158402633) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
PubChem CID158402633
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
SMILESC.CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H25N3O3S.CH4/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);1H4
InChIKeyGYHFXWGBEVTBBO-UHFFFAOYSA-N
XLogP5.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
2-[[4-(diethylsulfamoyl)benzoyl]amino]ethyl 2-phenylquinoline-4-carboxylate
CID 2328657
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 4171071
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5073082
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2375419

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane (CID 158402633) is N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane is C.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;methane?
The InChIKey is GYHFXWGBEVTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S.CH4/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);1H4.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane?
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane has a molecular weight of 475.61 g/mol, XLogP of 5.82, 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;methane is sourced from PubChem (CID 158402633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).