methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate

C19H15FN2O5S — CID 650344

IUPACmethyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C19H15FN2O5S/c1-10-14(19(25)26-2)18(22-16(23)13-4-3-9-27-13)28-15(10)17(24)21-12-7-5-11(20)6-8-12/h3-9H,1-2H3,(H,21,24)(H,22,23)
InChIKeyRJOFPVZHQIJGTG-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.08
Rot. Bonds5

About methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate

methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate (PubChem CID 650344) has the molecular formula C19H15FN2O5S and a molecular weight of 402.40 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
PubChem CID650344
Molecular FormulaC19H15FN2O5S
Molecular Weight402.40 g/mol
Exact Mass402.07
IUPAC Namemethyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C19H15FN2O5S/c1-10-14(19(25)26-2)18(22-16(23)13-4-3-9-27-13)28-15(10)17(24)21-12-7-5-11(20)6-8-12/h3-9H,1-2H3,(H,21,24)(H,22,23)
InChIKeyRJOFPVZHQIJGTG-UHFFFAOYSA-N
XLogP4.08
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate (CID 650344) is methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(F)cc2)c1C.
What is the InChIKey of methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is RJOFPVZHQIJGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5S/c1-10-14(19(25)26-2)18(22-16(23)13-4-3-9-27-13)28-15(10)17(24)21-12-7-5-11(20)6-8-12/h3-9H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 402.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 650344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).