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

C16H16N2O5S — CID 124883948

IUPACmethyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1N1CC[C@H](NC(=O)c2ccoc2C)C1=O
InChIInChI=1S/C16H16N2O5S/c1-9-10(4-7-23-9)13(19)17-12-3-6-18(14(12)20)15-11(5-8-24-15)16(21)22-2/h4-5,7-8,12H,3,6H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyQNCSLPOBMPPIHF-LBPRGKRZSA-N
MW348.38 g/mol
LogP1.97
Rot. Bonds4

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

methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate (PubChem CID 124883948) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
PubChem CID124883948
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1N1CC[C@H](NC(=O)c2ccoc2C)C1=O
InChIInChI=1S/C16H16N2O5S/c1-9-10(4-7-23-9)13(19)17-12-3-6-18(14(12)20)15-11(5-8-24-15)16(21)22-2/h4-5,7-8,12H,3,6H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyQNCSLPOBMPPIHF-LBPRGKRZSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate (CID 124883948) is methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate is COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2ccoc2C)C1=O.
What is the InChIKey of methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?
The InChIKey is QNCSLPOBMPPIHF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-9-10(4-7-23-9)13(19)17-12-3-6-18(14(12)20)15-11(5-8-24-15)16(21)22-2/h4-5,7-8,12H,3,6H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?
methyl 2-[(3S)-3-[(2-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-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate is sourced from PubChem (CID 124883948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).