N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C16H21NO2S — CID 61468370

IUPACN-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc(C#CCO)s2)CC1
InChIInChI=1S/C16H21NO2S/c1-2-12-5-7-13(8-6-12)17-16(19)15-10-9-14(20-15)4-3-11-18/h9-10,12-13,18H,2,5-8,11H2,1H3,(H,17,19)
InChIKeyNAXYXZFFFMSJSG-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.79
Rot. Bonds3

About N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 61468370) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID61468370
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc(C#CCO)s2)CC1
InChIInChI=1S/C16H21NO2S/c1-2-12-5-7-13(8-6-12)17-16(19)15-10-9-14(20-15)4-3-11-18/h9-10,12-13,18H,2,5-8,11H2,1H3,(H,17,19)
InChIKeyNAXYXZFFFMSJSG-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'}

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63996180
5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 63244465
(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61422006
5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 106258829
N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 62406371
N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83022785
5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide
CID 79690216
N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61076001
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
CID 64733139
N-(2,2-dimethylpropyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61167472
N-[3-(diethylamino)propyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075095
5-(4-hydroxybut-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
CID 64668256

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 61468370) is N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CCC1CCC(NC(=O)c2ccc(C#CCO)s2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is NAXYXZFFFMSJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-2-12-5-7-13(8-6-12)17-16(19)15-10-9-14(20-15)4-3-11-18/h9-10,12-13,18H,2,5-8,11H2,1H3,(H,17,19).
What are the key properties of N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-(4-ethylcyclohexyl)-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-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 61468370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).