N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide

C23H27N3O3S — CID 9192103

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C23H27N3O3S/c1-5-20-22(16(4)19-13-8-9-14-21(19)25-20)23(27)24-17-11-10-12-18(15-17)30(28,29)26(6-2)7-3/h8-15H,5-7H2,1-4H3,(H,24,27)
InChIKeyXBRCMHXMZXETAT-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.39
Rot. Bonds7

About N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide

N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide (PubChem CID 9192103) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
PubChem CID9192103
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C23H27N3O3S/c1-5-20-22(16(4)19-13-8-9-14-21(19)25-20)23(27)24-17-11-10-12-18(15-17)30(28,29)26(6-2)7-3/h8-15H,5-7H2,1-4H3,(H,24,27)
InChIKeyXBRCMHXMZXETAT-UHFFFAOYSA-N
XLogP4.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191613
dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 9192352
N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191575
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 17419678
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4043210
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-ethyl-3-methylquinoline-4-carboxamide
CID 24685932
1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 16590699

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide (CID 9192103) is N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide is CCc1nc2ccccc2c(C)c1C(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide?
The InChIKey is XBRCMHXMZXETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-5-20-22(16(4)19-13-8-9-14-21(19)25-20)23(27)24-17-11-10-12-18(15-17)30(28,29)26(6-2)7-3/h8-15H,5-7H2,1-4H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide?
N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide is sourced from PubChem (CID 9192103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).