methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate

C14H11F3N2O5S2 — CID 18148291

IUPACmethyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F3N2O5S2/c1-24-14(21)13-9(4-5-25-13)26(22,23)18-6-10(20)19-8-3-2-7(15)11(16)12(8)17/h2-5,18H,6H2,1H3,(H,19,20)
InChIKeyKQBIXFDGPZSROV-UHFFFAOYSA-N
MW408.38 g/mol
LogP1.87
Rot. Bonds6

About methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 18148291) has the molecular formula C14H11F3N2O5S2 and a molecular weight of 408.38 g/mol. Its IUPAC name is methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID18148291
Molecular FormulaC14H11F3N2O5S2
Molecular Weight408.38 g/mol
Exact Mass408.01
IUPAC Namemethyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F3N2O5S2/c1-24-14(21)13-9(4-5-25-13)26(22,23)18-6-10(20)19-8-3-2-7(15)11(16)12(8)17/h2-5,18H,6H2,1H3,(H,19,20)
InChIKeyKQBIXFDGPZSROV-UHFFFAOYSA-N
XLogP1.87
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylsulfamoyl]thiophene-2-carboxylate
CID 31070445
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113002239
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3476036
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 3-methylthiophene-2-carboxylate
CID 7837722
methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3699579
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[3-(2-fluorophenyl)prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90552674
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 39447577

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate (CID 18148291) is methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is KQBIXFDGPZSROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O5S2/c1-24-14(21)13-9(4-5-25-13)26(22,23)18-6-10(20)19-8-3-2-7(15)11(16)12(8)17/h2-5,18H,6H2,1H3,(H,19,20).
What are the key properties of methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 408.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 18148291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).