methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate

C16H16N2O5S — CID 17470223

IUPACmethyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C16H16N2O5S/c1-22-16(21)13-10(6-9-24-13)17-14(19)11-4-2-7-18(11)15(20)12-5-3-8-23-12/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,17,19)
InChIKeyIFMPHKHVUSDIBH-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.37
Rot. Bonds4

About methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 17470223) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate
PubChem CID17470223
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C16H16N2O5S/c1-22-16(21)13-10(6-9-24-13)17-14(19)11-4-2-7-18(11)15(20)12-5-3-8-23-12/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,17,19)
InChIKeyIFMPHKHVUSDIBH-UHFFFAOYSA-N
XLogP2.37
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate (CID 17470223) is methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is IFMPHKHVUSDIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-16(21)13-10(6-9-24-13)17-14(19)11-4-2-7-18(11)15(20)12-5-3-8-23-12/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,17,19).
What are the key properties of methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 17470223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).