5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide

C15H15NO3S — CID 79095339

IUPAC5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2ccc(C#CCO)s2)o1
InChIInChI=1S/C15H15NO3S/c1-2-11-5-8-14(19-11)15(18)16-10-13-7-6-12(20-13)4-3-9-17/h5-8,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyFLRMNVDWRRPGJA-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.18
Rot. Bonds4

About 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide

5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide (PubChem CID 79095339) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide
PubChem CID79095339
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2ccc(C#CCO)s2)o1
InChIInChI=1S/C15H15NO3S/c1-2-11-5-8-14(19-11)15(18)16-10-13-7-6-12(20-13)4-3-9-17/h5-8,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyFLRMNVDWRRPGJA-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thiophene-3-carboxamide
CID 107963931
2-(2-hydroxyphenyl)-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]acetamide
CID 80722992
2,5-dihydroxy-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]benzamide
CID 107725453
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thiadiazole-4-carboxamide
CID 65215798
2-chloro-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-methylbenzamide
CID 106862547
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-methoxy-2-methylpropanamide
CID 103021901
2-fluoro-4-hydroxy-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]benzamide
CID 107677280
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide
CID 81329988
5-ethyl-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 79096364
5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 79094339
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811106
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide (CID 79095339) is 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide is CCc1ccc(C(=O)NCc2ccc(C#CCO)s2)o1.
What is the InChIKey of 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The InChIKey is FLRMNVDWRRPGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-11-5-8-14(19-11)15(18)16-10-13-7-6-12(20-13)4-3-9-17/h5-8,17H,2,9-10H2,1H3,(H,16,18).
What are the key properties of 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide?
5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 79095339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).