N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C23H31N3O5S2 — CID 27832661

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1
InChIInChI=1S/C23H31N3O5S2/c1-6-25(7-2)33(30,31)20-13-16(3)17(4)21(15-20)24-23(27)19-10-11-22-18(14-19)9-8-12-26(22)32(5,28)29/h10-11,13-15H,6-9,12H2,1-5H3,(H,24,27)
InChIKeySIJLHSRLCPUSTJ-UHFFFAOYSA-N
MW493.65 g/mol
LogP3.30
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 27832661) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID27832661
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1
InChIInChI=1S/C23H31N3O5S2/c1-6-25(7-2)33(30,31)20-13-16(3)17(4)21(15-20)24-23(27)19-10-11-22-18(14-19)9-8-12-26(22)32(5,28)29/h10-11,13-15H,6-9,12H2,1-5H3,(H,24,27)
InChIKeySIJLHSRLCPUSTJ-UHFFFAOYSA-N
XLogP3.30
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 7602964
2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
CID 119255068
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide
CID 24580955
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
1-methylsulfonyl-N-[2-(trifluoromethylsulfanyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78878759
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119515394
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 43049414
N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770361

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 27832661) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is SIJLHSRLCPUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-6-25(7-2)33(30,31)20-13-16(3)17(4)21(15-20)24-23(27)19-10-11-22-18(14-19)9-8-12-26(22)32(5,28)29/h10-11,13-15H,6-9,12H2,1-5H3,(H,24,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 27832661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).