5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide

C16H21NO2S — CID 63244465

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESCC1CCC(CNC(=O)c2ccc(C#CCO)s2)CC1
InChIInChI=1S/C16H21NO2S/c1-12-4-6-13(7-5-12)11-17-16(19)15-9-8-14(20-15)3-2-10-18/h8-9,12-13,18H,4-7,10-11H2,1H3,(H,17,19)
InChIKeyUVBXNFWONWFUCW-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.65
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide (PubChem CID 63244465) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
PubChem CID63244465
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESCC1CCC(CNC(=O)c2ccc(C#CCO)s2)CC1
InChIInChI=1S/C16H21NO2S/c1-12-4-6-13(7-5-12)11-17-16(19)15-9-8-14(20-15)3-2-10-18/h8-9,12-13,18H,4-7,10-11H2,1H3,(H,17,19)
InChIKeyUVBXNFWONWFUCW-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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)-4-methyl-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 79977534
N-(cyclohexylmethyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075104
N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61468370
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63684649
N-(2,2-dimethylpropyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61167472
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63996180
N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83022785
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide
CID 107414953
N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 62406371
(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61422006
5-(3-hydroxyprop-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842091

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide (CID 63244465) is 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide is CC1CCC(CNC(=O)c2ccc(C#CCO)s2)CC1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The InChIKey is UVBXNFWONWFUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12-4-6-13(7-5-12)11-17-16(19)15-9-8-14(20-15)3-2-10-18/h8-9,12-13,18H,4-7,10-11H2,1H3,(H,17,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.65, 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-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 63244465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).