methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate

C16H16N2O5S — CID 124619867

About methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate

methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate (PubChem CID 124619867) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
• PubChem CID: 124619867
• Molecular Formula: C16H16N2O5S
• Molecular Weight: 348.38 g/mol
• Exact Mass: 348.08
• IUPAC Name: methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
• SMILES: COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2coc(C)c2)C1=O
• InChI: InChI=1S/C16H16N2O5S/c1-9-7-10(8-23-9)13(19)17-12-3-5-18(14(12)20)15-11(4-6-24-15)16(21)22-2/h4,6-8,12H,3,5H2,1-2H3,(H,17,19)/t12-/m0/s1
• InChIKey: FHGFJPKGSZOIQS-LBPRGKRZSA-N
• XLogP: 1.97
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.38
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?

The IUPAC name of methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate (CID 124619867) is methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate.

What is the SMILES notation for methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?

The canonical SMILES for methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate is COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2coc(C)c2)C1=O.

What is the InChIKey of methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?

The InChIKey is FHGFJPKGSZOIQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-9-7-10(8-23-9)13(19)17-12-3-5-18(14(12)20)15-11(4-6-24-15)16(21)22-2/h4,6-8,12H,3,5H2,1-2H3,(H,17,19)/t12-/m0/s1.

What are the key properties of methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?

methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate is sourced from PubChem (CID 124619867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).