5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide

C15H19NO2S — CID 107414953

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide
SMILESCC1CCC(CNC(=O)c2csc(C#CCO)c2)C1
InChIInChI=1S/C15H19NO2S/c1-11-4-5-12(7-11)9-16-15(18)13-8-14(19-10-13)3-2-6-17/h8,10-12,17H,4-7,9H2,1H3,(H,16,18)
InChIKeyUBEHEUDWCCIUMW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.26
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide (PubChem CID 107414953) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide
PubChem CID107414953
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide
SMILESCC1CCC(CNC(=O)c2csc(C#CCO)c2)C1
InChIInChI=1S/C15H19NO2S/c1-11-4-5-12(7-11)9-16-15(18)13-8-14(19-10-13)3-2-6-17/h8,10-12,17H,4-7,9H2,1H3,(H,16,18)
InChIKeyUBEHEUDWCCIUMW-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide
CID 79696333
5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide
CID 79690216
5-(4-hydroxybut-1-ynyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 79690421
5-(3-hydroxyprop-1-ynyl)-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 79692226
5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 63244465
5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693657
5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 61380978
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223
5-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)thiophene-3-carboxamide
CID 79693917
5-(3-hydroxyprop-1-ynyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-carboxamide
CID 114117453
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414962
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106342102

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide (CID 107414953) is 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide is CC1CCC(CNC(=O)c2csc(C#CCO)c2)C1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide?
The InChIKey is UBEHEUDWCCIUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-4-5-12(7-11)9-16-15(18)13-8-14(19-10-13)3-2-6-17/h8,10-12,17H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 107414953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).