2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

C15H21NO2S — CID 71985104

IUPAC2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)C=C1CCCCC1)c1cccs1
InChIInChI=1S/C15H21NO2S/c1-15(18,13-8-5-9-19-13)11-16-14(17)10-12-6-3-2-4-7-12/h5,8-10,18H,2-4,6-7,11H2,1H3,(H,16,17)
InChIKeyBTJGODPFYZISNE-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.96
Rot. Bonds4

About 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (PubChem CID 71985104) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
PubChem CID71985104
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)C=C1CCCCC1)c1cccs1
InChIInChI=1S/C15H21NO2S/c1-15(18,13-8-5-9-19-13)11-16-14(17)10-12-6-3-2-4-7-12/h5,8-10,18H,2-4,6-7,11H2,1H3,(H,16,17)
InChIKeyBTJGODPFYZISNE-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide
CID 96567021
(E)-4-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)but-2-enamide
CID 146101049
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 111442034
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 96567011

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (CID 71985104) is 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is CC(O)(CNC(=O)C=C1CCCCC1)c1cccs1.
What is the InChIKey of 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is BTJGODPFYZISNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(18,13-8-5-9-19-13)11-16-14(17)10-12-6-3-2-4-7-12/h5,8-10,18H,2-4,6-7,11H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 71985104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).