N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C15H10N2O2S — CID 63798841

IUPACN-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2sccc2C#CCO)c1
InChIInChI=1S/C15H10N2O2S/c16-10-11-3-1-5-13(9-11)17-15(19)14-12(4-2-7-18)6-8-20-14/h1,3,5-6,8-9,18H,7H2,(H,17,19)
InChIKeyJBKFEUFPPJQTEN-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.22
Rot. Bonds2

About N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 63798841) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID63798841
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC NameN-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2sccc2C#CCO)c1
InChIInChI=1S/C15H10N2O2S/c16-10-11-3-1-5-13(9-11)17-15(19)14-12(4-2-7-18)6-8-20-14/h1,3,5-6,8-9,18H,7H2,(H,17,19)
InChIKeyJBKFEUFPPJQTEN-UHFFFAOYSA-N
XLogP2.22
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.22
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

N-(4-cyanophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63797438
N-(4-carbamoylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797944
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797802
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63798682
3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 63799848
N-(3-bromo-5-methoxyphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 82860760
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 63797609
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804690
3-(3-aminoprop-1-ynyl)-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 107809730
3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 63799155
3-(3-hydroxyprop-1-ynyl)-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 107642800

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 63798841) is N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is N#Cc1cccc(NC(=O)c2sccc2C#CCO)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is JBKFEUFPPJQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c16-10-11-3-1-5-13(9-11)17-15(19)14-12(4-2-7-18)6-8-20-14/h1,3,5-6,8-9,18H,7H2,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 63798841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).