N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C15H15NO3S — CID 63798156

IUPACN-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1sccc1C#CCO
InChIInChI=1S/C15H15NO3S/c1-2-16(11-13-6-4-9-19-13)15(18)14-12(5-3-8-17)7-10-20-14/h4,6-7,9-10,17H,2,8,11H2,1H3
InChIKeyPMDWPNQRZWCWTD-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.35
Rot. Bonds4

About N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 63798156) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID63798156
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1sccc1C#CCO
InChIInChI=1S/C15H15NO3S/c1-2-16(11-13-6-4-9-19-13)15(18)14-12(5-3-8-17)7-10-20-14/h4,6-7,9-10,17H,2,8,11H2,1H3
InChIKeyPMDWPNQRZWCWTD-UHFFFAOYSA-N
XLogP2.35
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 63798156) is N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CCN(Cc1ccco1)C(=O)c1sccc1C#CCO.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is PMDWPNQRZWCWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-16(11-13-6-4-9-19-13)15(18)14-12(5-3-8-17)7-10-20-14/h4,6-7,9-10,17H,2,8,11H2,1H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 63798156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).