ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate

C15H16N2O5S — CID 903585

IUPACethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccoc2C)c(C(N)=O)c1C
InChIInChI=1S/C15H16N2O5S/c1-4-21-15(20)11-7(2)10(12(16)18)14(23-11)17-13(19)9-5-6-22-8(9)3/h5-6H,4H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyWYJKPVZGWPKYND-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.49
Rot. Bonds5

About ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate

ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 903585) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID903585
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Nameethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccoc2C)c(C(N)=O)c1C
InChIInChI=1S/C15H16N2O5S/c1-4-21-15(20)11-7(2)10(12(16)18)14(23-11)17-13(19)9-5-6-22-8(9)3/h5-6H,4H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyWYJKPVZGWPKYND-UHFFFAOYSA-N
XLogP2.49
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate (CID 903585) is ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccoc2C)c(C(N)=O)c1C.
What is the InChIKey of ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is WYJKPVZGWPKYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-4-21-15(20)11-7(2)10(12(16)18)14(23-11)17-13(19)9-5-6-22-8(9)3/h5-6H,4H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate?
ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 903585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).