methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate

C17H18N2O5S — CID 644777

IUPACmethyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N2CCCC2)c1C
InChIInChI=1S/C17H18N2O5S/c1-10-12(17(22)23-2)15(18-14(20)11-6-5-9-24-11)25-13(10)16(21)19-7-3-4-8-19/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyZFNNYVCWDCWNID-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate

methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate (PubChem CID 644777) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
PubChem CID644777
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N2CCCC2)c1C
InChIInChI=1S/C17H18N2O5S/c1-10-12(17(22)23-2)15(18-14(20)11-6-5-9-24-11)25-13(10)16(21)19-7-3-4-8-19/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyZFNNYVCWDCWNID-UHFFFAOYSA-N
XLogP2.92
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate (CID 644777) is methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N2CCCC2)c1C.
What is the InChIKey of methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate?
The InChIKey is ZFNNYVCWDCWNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-10-12(17(22)23-2)15(18-14(20)11-6-5-9-24-11)25-13(10)16(21)19-7-3-4-8-19/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate?
methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate is sourced from PubChem (CID 644777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).