2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide

C17H25NO2S — CID 78323587

IUPAC2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide
SMILESCN(CC(=O)c1ccsc1)C(=O)C(C)(C)C1CCCCC1
InChIInChI=1S/C17H25NO2S/c1-17(2,14-7-5-4-6-8-14)16(20)18(3)11-15(19)13-9-10-21-12-13/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyPPUXMCYHHGRAGZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.00
Rot. Bonds5

About 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide

2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide (PubChem CID 78323587) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide
PubChem CID78323587
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide
SMILESCN(CC(=O)c1ccsc1)C(=O)C(C)(C)C1CCCCC1
InChIInChI=1S/C17H25NO2S/c1-17(2,14-7-5-4-6-8-14)16(20)18(3)11-15(19)13-9-10-21-12-13/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyPPUXMCYHHGRAGZ-UHFFFAOYSA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide (CID 78323587) is 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide is CN(CC(=O)c1ccsc1)C(=O)C(C)(C)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide?
The InChIKey is PPUXMCYHHGRAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-17(2,14-7-5-4-6-8-14)16(20)18(3)11-15(19)13-9-10-21-12-13/h9-10,12,14H,4-8,11H2,1-3H3.
What are the key properties of 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide?
2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide has a molecular weight of 307.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 78323587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).