N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide

C26H25N3O3S — CID 16564312

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C
InChIInChI=1S/C26H25N3O3S/c1-17-14-20(33(31,32)29(3)4)15-24(18(17)2)28-26(30)22-16-25(19-10-6-5-7-11-19)27-23-13-9-8-12-21(22)23/h5-16H,1-4H3,(H,28,30)
InChIKeyJXACRMAEBFIZEP-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.02
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide (PubChem CID 16564312) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
PubChem CID16564312
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C
InChIInChI=1S/C26H25N3O3S/c1-17-14-20(33(31,32)29(3)4)15-24(18(17)2)28-26(30)22-16-25(19-10-6-5-7-11-19)27-23-13-9-8-12-21(22)23/h5-16H,1-4H3,(H,28,30)
InChIKeyJXACRMAEBFIZEP-UHFFFAOYSA-N
XLogP5.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide
CID 78812993
2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide
CID 16545912
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(2,4-dimethylphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-4-carboxamide
CID 26205359
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 5211935
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide (CID 16564312) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is JXACRMAEBFIZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-17-14-20(33(31,32)29(3)4)15-24(18(17)2)28-26(30)22-16-25(19-10-6-5-7-11-19)27-23-13-9-8-12-21(22)23/h5-16H,1-4H3,(H,28,30).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 16564312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).