5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide

C17H23NO2S — CID 79690216

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide
SMILESCCCC1CCC(NC(=O)c2csc(C#CCO)c2)CC1
InChIInChI=1S/C17H23NO2S/c1-2-4-13-6-8-15(9-7-13)18-17(20)14-11-16(21-12-14)5-3-10-19/h11-13,15,19H,2,4,6-10H2,1H3,(H,18,20)
InChIKeyHWXLUNKTKJXBHK-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.18
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide (PubChem CID 79690216) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide
PubChem CID79690216
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide
SMILESCCCC1CCC(NC(=O)c2csc(C#CCO)c2)CC1
InChIInChI=1S/C17H23NO2S/c1-2-4-13-6-8-15(9-7-13)18-17(20)14-11-16(21-12-14)5-3-10-19/h11-13,15,19H,2,4,6-10H2,1H3,(H,18,20)
InChIKeyHWXLUNKTKJXBHK-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.18
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

[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 79696297
5-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)thiophene-3-carboxamide
CID 79693917
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylazepan-1-yl)methanone
CID 79690949
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61468370
5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 79691136
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
5-(4-hydroxybut-1-ynyl)-N-(thiolan-3-yl)thiophene-3-carboxamide
CID 103064444
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
CID 61244512
N-cyclopropyl-5-propylthiophene-3-carboxamide
CID 1244120

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide (CID 79690216) is 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide is CCCC1CCC(NC(=O)c2csc(C#CCO)c2)CC1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide?
The InChIKey is HWXLUNKTKJXBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-2-4-13-6-8-15(9-7-13)18-17(20)14-11-16(21-12-14)5-3-10-19/h11-13,15,19H,2,4,6-10H2,1H3,(H,18,20).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 3.18, 4 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-(4-propylcyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 79690216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).