ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate

C20H17FN2O5S2 — CID 2327272

IUPACethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C20H17FN2O5S2/c1-2-28-20(25)17-11-12-18(29-17)22-19(24)15-5-3-4-6-16(15)23-30(26,27)14-9-7-13(21)8-10-14/h3-12,23H,2H2,1H3,(H,22,24)
InChIKeyXKQUXLYBNREZBT-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.12
Rot. Bonds7

About ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate

ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate (PubChem CID 2327272) has the molecular formula C20H17FN2O5S2 and a molecular weight of 448.50 g/mol. Its IUPAC name is ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate
PubChem CID2327272
Molecular FormulaC20H17FN2O5S2
Molecular Weight448.50 g/mol
Exact Mass448.06
IUPAC Nameethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C20H17FN2O5S2/c1-2-28-20(25)17-11-12-18(29-17)22-19(24)15-5-3-4-6-16(15)23-30(26,27)14-9-7-13(21)8-10-14/h3-12,23H,2H2,1H3,(H,22,24)
InChIKeyXKQUXLYBNREZBT-UHFFFAOYSA-N
XLogP4.12
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 3-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 121040906
diethyl 5-[[2-(benzenesulfonamido)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 121040692
diethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 121041096
ethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 121041238
ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040693
ethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 121041239
ethyl N-[2-[[2-(benzenesulfonamido)benzoyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
CID 121040768
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
CID 1247869
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate (CID 2327272) is ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate is CCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate?
The InChIKey is XKQUXLYBNREZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5S2/c1-2-28-20(25)17-11-12-18(29-17)22-19(24)15-5-3-4-6-16(15)23-30(26,27)14-9-7-13(21)8-10-14/h3-12,23H,2H2,1H3,(H,22,24).
What are the key properties of ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate?
ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate has a molecular weight of 448.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 2327272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).