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

C16H21NO2S — CID 61076880

IUPACN-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(C#CCO)s1)C1CCCCC1
InChIInChI=1S/C16H21NO2S/c1-2-17(13-7-4-3-5-8-13)16(19)15-11-10-14(20-15)9-6-12-18/h10-11,13,18H,2-5,7-8,12H2,1H3
InChIKeyOPNRGKHQBYEYAZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.89
Rot. Bonds3

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

N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 61076880) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID61076880
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(C#CCO)s1)C1CCCCC1
InChIInChI=1S/C16H21NO2S/c1-2-17(13-7-4-3-5-8-13)16(19)15-11-10-14(20-15)9-6-12-18/h10-11,13,18H,2-5,7-8,12H2,1H3
InChIKeyOPNRGKHQBYEYAZ-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61077088
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 82748571
N-butyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075090
N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 62406371
[3-(diethylamino)pyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 63175231
N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
CID 134059838
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 103190506
N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83022785
N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81459196
N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311329
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61075114
(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61422006

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 61076880) is N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CCN(C(=O)c1ccc(C#CCO)s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is OPNRGKHQBYEYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-2-17(13-7-4-3-5-8-13)16(19)15-11-10-14(20-15)9-6-12-18/h10-11,13,18H,2-5,7-8,12H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 61076880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).