6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide

C20H21N3O4S — CID 110615725

IUPAC6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c2[nH]c(=O)c(C(=O)NCCS(=O)(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C20H21N3O4S/c1-13-10-14(2)18-15(11-13)12-17(20(25)22-18)19(24)21-8-9-28(26,27)23-16-6-4-3-5-7-16/h3-7,10-12,23H,8-9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIDBJQFPEZARADT-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.32
Rot. Bonds6

About 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide

6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide (PubChem CID 110615725) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide
PubChem CID110615725
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c2[nH]c(=O)c(C(=O)NCCS(=O)(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C20H21N3O4S/c1-13-10-14(2)18-15(11-13)12-17(20(25)22-18)19(24)21-8-9-28(26,27)23-16-6-4-3-5-7-16/h3-7,10-12,23H,8-9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIDBJQFPEZARADT-UHFFFAOYSA-N
XLogP2.32
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 110356809
1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326282
2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110408216
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
6,8-dimethyl-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 110312148
2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110325268
6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide
CID 110422824
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 110606781
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 110326259
6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 110618703

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide (CID 110615725) is 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide is Cc1cc(C)c2[nH]c(=O)c(C(=O)NCCS(=O)(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is IDBJQFPEZARADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-10-14(2)18-15(11-13)12-17(20(25)22-18)19(24)21-8-9-28(26,27)23-16-6-4-3-5-7-16/h3-7,10-12,23H,8-9H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide?
6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110615725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).