methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate

C25H24N2O5S2 — CID 1161875

IUPACmethyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3ccccc3C(=O)OC)cc2c1
InChIInChI=1S/C25H24N2O5S2/c1-3-17-10-11-22-18(13-17)14-19(24(28)26-22)15-27(16-20-7-6-12-33-20)34(30,31)23-9-5-4-8-21(23)25(29)32-2/h4-14H,3,15-16H2,1-2H3,(H,26,28)
InChIKeyGCOWEIVTWKBOKM-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.33
Rot. Bonds8

About methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate

methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate (PubChem CID 1161875) has the molecular formula C25H24N2O5S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
PubChem CID1161875
Molecular FormulaC25H24N2O5S2
Molecular Weight496.61 g/mol
Exact Mass496.11
IUPAC Namemethyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3ccccc3C(=O)OC)cc2c1
InChIInChI=1S/C25H24N2O5S2/c1-3-17-10-11-22-18(13-17)14-19(24(28)26-22)15-27(16-20-7-6-12-33-20)34(30,31)23-9-5-4-8-21(23)25(29)32-2/h4-14H,3,15-16H2,1-2H3,(H,26,28)
InChIKeyGCOWEIVTWKBOKM-UHFFFAOYSA-N
XLogP4.33
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
CID 1161828
methyl 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 1161992
methyl 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 1162061
methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 3183872
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3186082
ethyl 4-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 3184182
methyl 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoate
CID 1162000
2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 1165045
2-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43811658
N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 3183900
3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3184249
5-chloro-2-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1165783

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate (CID 1161875) is methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate is CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3ccccc3C(=O)OC)cc2c1.
What is the InChIKey of methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate?
The InChIKey is GCOWEIVTWKBOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S2/c1-3-17-10-11-22-18(13-17)14-19(24(28)26-22)15-27(16-20-7-6-12-33-20)34(30,31)23-9-5-4-8-21(23)25(29)32-2/h4-14H,3,15-16H2,1-2H3,(H,26,28).
What are the key properties of methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate?
methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate has a molecular weight of 496.61 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate is sourced from PubChem (CID 1161875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).