N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide

C32H31N3O4S — CID 4171071

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc4cc(OC)ccc4c3)nc3ccccc23)c1
InChIInChI=1S/C32H31N3O4S/c1-5-35(6-2)40(37,38)26-16-11-21(3)30(19-26)34-32(36)28-20-31(33-29-10-8-7-9-27(28)29)24-13-12-23-18-25(39-4)15-14-22(23)17-24/h7-20H,5-6H2,1-4H3,(H,34,36)
InChIKeyMGLGLMPVTAPYGP-UHFFFAOYSA-N
MW553.68 g/mol
LogP6.65
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide (PubChem CID 4171071) has the molecular formula C32H31N3O4S and a molecular weight of 553.68 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
PubChem CID4171071
Molecular FormulaC32H31N3O4S
Molecular Weight553.68 g/mol
Exact Mass553.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc4cc(OC)ccc4c3)nc3ccccc23)c1
InChIInChI=1S/C32H31N3O4S/c1-5-35(6-2)40(37,38)26-16-11-21(3)30(19-26)34-32(36)28-20-31(33-29-10-8-7-9-27(28)29)24-13-12-23-18-25(39-4)15-14-22(23)17-24/h7-20H,5-6H2,1-4H3,(H,34,36)
InChIKeyMGLGLMPVTAPYGP-UHFFFAOYSA-N
XLogP6.65
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.68
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide
CID 16545912
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 2334543
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 2403708
N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5073082
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 5211935
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide (CID 4171071) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc4cc(OC)ccc4c3)nc3ccccc23)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide?
The InChIKey is MGLGLMPVTAPYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4S/c1-5-35(6-2)40(37,38)26-16-11-21(3)30(19-26)34-32(36)28-20-31(33-29-10-8-7-9-27(28)29)24-13-12-23-18-25(39-4)15-14-22(23)17-24/h7-20H,5-6H2,1-4H3,(H,34,36).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide has a molecular weight of 553.68 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4171071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).