[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

C20H19FN2O6S — CID 30967084

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2c(F)cccc12
InChIInChI=1S/C20H19FN2O6S/c1-12-15-3-2-4-16(21)19(15)29-18(12)20(25)28-11-17(24)23-10-9-13-5-7-14(8-6-13)30(22,26)27/h2-8H,9-11H2,1H3,(H,23,24)(H2,22,26,27)
InChIKeyPDISCDRPWCZTTN-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.04
Rot. Bonds7

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 30967084) has the molecular formula C20H19FN2O6S and a molecular weight of 434.45 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID30967084
Molecular FormulaC20H19FN2O6S
Molecular Weight434.45 g/mol
Exact Mass434.09
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2c(F)cccc12
InChIInChI=1S/C20H19FN2O6S/c1-12-15-3-2-4-16(21)19(15)29-18(12)20(25)28-11-17(24)23-10-9-13-5-7-14(8-6-13)30(22,26)27/h2-8H,9-11H2,1H3,(H,23,24)(H2,22,26,27)
InChIKeyPDISCDRPWCZTTN-UHFFFAOYSA-N
XLogP2.04
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 24671488
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766303
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 46811824
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
CID 35192559
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 31669374
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567569
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766235
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 31669059
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 31668808
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 30967084) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2c(F)cccc12.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is PDISCDRPWCZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O6S/c1-12-15-3-2-4-16(21)19(15)29-18(12)20(25)28-11-17(24)23-10-9-13-5-7-14(8-6-13)30(22,26)27/h2-8H,9-11H2,1H3,(H,23,24)(H2,22,26,27).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 434.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 30967084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).