5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

C17H20N2O3S — CID 75501372

IUPAC5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCCC(=O)N3CCCC3)s2)o1
InChIInChI=1S/C17H20N2O3S/c1-12-4-5-13(22-12)14-6-7-15(23-14)17(21)18-9-8-16(20)19-10-2-3-11-19/h4-7H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyHUQCYGSROYYGRZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.06
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 75501372) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID75501372
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCCC(=O)N3CCCC3)s2)o1
InChIInChI=1S/C17H20N2O3S/c1-12-4-5-13(22-12)14-6-7-15(23-14)17(21)18-9-8-16(20)19-10-2-3-11-19/h4-7H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyHUQCYGSROYYGRZ-UHFFFAOYSA-N
XLogP3.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (CID 75501372) is 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NCCC(=O)N3CCCC3)s2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is HUQCYGSROYYGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-4-5-13(22-12)14-6-7-15(23-14)17(21)18-9-8-16(20)19-10-2-3-11-19/h4-7H,2-3,8-11H2,1H3,(H,18,21).
What are the key properties of 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 75501372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).