N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C16H21NO2S — CID 62406371

IUPACN-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(C#CCO)s1)C1CCCCC1
InChIInChI=1S/C16H21NO2S/c1-12(13-6-3-2-4-7-13)17-16(19)15-10-9-14(20-15)8-5-11-18/h9-10,12-13,18H,2-4,6-7,11H2,1H3,(H,17,19)
InChIKeyBMUXBPVFVLZOPY-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.79
Rot. Bonds3

About N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 62406371) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID62406371
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(C#CCO)s1)C1CCCCC1
InChIInChI=1S/C16H21NO2S/c1-12(13-6-3-2-4-7-13)17-16(19)15-10-9-14(20-15)8-5-11-18/h9-10,12-13,18H,2-4,6-7,11H2,1H3,(H,17,19)
InChIKeyBMUXBPVFVLZOPY-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63996180
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61468370
N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83022785
5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 63244465
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 106258829
N-(2,2-dimethylpropyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61167472
N-(cyclohexylmethyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075104
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
CID 61074909
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 62406371) is N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CC(NC(=O)c1ccc(C#CCO)s1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is BMUXBPVFVLZOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(13-6-3-2-4-7-13)17-16(19)15-10-9-14(20-15)8-5-11-18/h9-10,12-13,18H,2-4,6-7,11H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 62406371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).