5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide

C15H14N2O2S — CID 79696892

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
SMILESO=C(NCCc1ccncc1)c1csc(C#CCO)c1
InChIInChI=1S/C15H14N2O2S/c18-9-1-2-14-10-13(11-20-14)15(19)17-8-5-12-3-6-16-7-4-12/h3-4,6-7,10-11,18H,5,8-9H2,(H,17,19)
InChIKeyCRPSMZKRRZAHJA-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.46
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide (PubChem CID 79696892) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
PubChem CID79696892
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
SMILESO=C(NCCc1ccncc1)c1csc(C#CCO)c1
InChIInChI=1S/C15H14N2O2S/c18-9-1-2-14-10-13(11-20-14)15(19)17-8-5-12-3-6-16-7-4-12/h3-4,6-7,10-11,18H,5,8-9H2,(H,17,19)
InChIKeyCRPSMZKRRZAHJA-UHFFFAOYSA-N
XLogP1.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.46
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

5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 103010436
2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 60903757
5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 79696359
5-(3-hydroxyprop-1-ynyl)-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-carboxamide
CID 106432441
5-(3-hydroxyprop-1-ynyl)-N-(3-sulfamoylpropyl)thiophene-3-carboxamide
CID 79696498
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106240619
3-[4-(2-pyridin-4-ylethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79692489
N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79693097
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106342102
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylthiophene-3-carboxamide
CID 107589617
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61075669
N-(3-fluoropropyl)-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide
CID 114267123

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide (CID 79696892) is 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide is O=C(NCCc1ccncc1)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide?
The InChIKey is CRPSMZKRRZAHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-9-1-2-14-10-13(11-20-14)15(19)17-8-5-12-3-6-16-7-4-12/h3-4,6-7,10-11,18H,5,8-9H2,(H,17,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79696892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).