6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide

C20H27N3O5S — CID 20859076

IUPAC6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCC1CCCO1)cn2C
InChIInChI=1S/C20H27N3O5S/c1-4-23(5-2)29(26,27)15-8-9-18-16(11-15)19(24)17(13-22(18)3)20(25)21-12-14-7-6-10-28-14/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,21,25)
InChIKeyCKIORHDFVFDNIT-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.48
Rot. Bonds7

About 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide

6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 20859076) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
PubChem CID20859076
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCC1CCCO1)cn2C
InChIInChI=1S/C20H27N3O5S/c1-4-23(5-2)29(26,27)15-8-9-18-16(11-15)19(24)17(13-22(18)3)20(25)21-12-14-7-6-10-28-14/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,21,25)
InChIKeyCKIORHDFVFDNIT-UHFFFAOYSA-N
XLogP1.48
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859070
N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859069
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859084
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838
5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25349046
1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
CID 43888780
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 46255088
3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95067154
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126337837

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide (CID 20859076) is 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCC1CCCO1)cn2C.
What is the InChIKey of 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is CKIORHDFVFDNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-23(5-2)29(26,27)15-8-9-18-16(11-15)19(24)17(13-22(18)3)20(25)21-12-14-7-6-10-28-14/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,21,25).
What are the key properties of 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide?
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 20859076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).