2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide

C24H29NO2S — CID 132516383

IUPAC2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide
SMILESCC(C)(C)C(=O)N(/C=C/C[C@]1(c2cccs2)CCCCC1=O)c1ccccc1
InChIInChI=1S/C24H29NO2S/c1-23(2,3)22(27)25(19-11-5-4-6-12-19)17-10-16-24(21-14-9-18-28-21)15-8-7-13-20(24)26/h4-6,9-12,14,17-18H,7-8,13,15-16H2,1-3H3/b17-10+/t24-/m1/s1
InChIKeyLPEOZMFBGVZZPB-AFAPPVNZSA-N
MW395.57 g/mol
LogP6.11
Rot. Bonds5

About 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide

2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide (PubChem CID 132516383) has the molecular formula C24H29NO2S and a molecular weight of 395.57 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide
PubChem CID132516383
Molecular FormulaC24H29NO2S
Molecular Weight395.57 g/mol
Exact Mass395.19
IUPAC Name2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide
SMILESCC(C)(C)C(=O)N(/C=C/C[C@]1(c2cccs2)CCCCC1=O)c1ccccc1
InChIInChI=1S/C24H29NO2S/c1-23(2,3)22(27)25(19-11-5-4-6-12-19)17-10-16-24(21-14-9-18-28-21)15-8-7-13-20(24)26/h4-6,9-12,14,17-18H,7-8,13,15-16H2,1-3H3/b17-10+/t24-/m1/s1
InChIKeyLPEOZMFBGVZZPB-AFAPPVNZSA-N
XLogP6.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide (CID 132516383) is 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide is CC(C)(C)C(=O)N(/C=C/C[C@]1(c2cccs2)CCCCC1=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide?
The InChIKey is LPEOZMFBGVZZPB-AFAPPVNZSA-N. The full InChI is InChI=1S/C24H29NO2S/c1-23(2,3)22(27)25(19-11-5-4-6-12-19)17-10-16-24(21-14-9-18-28-21)15-8-7-13-20(24)26/h4-6,9-12,14,17-18H,7-8,13,15-16H2,1-3H3/b17-10+/t24-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide?
2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide has a molecular weight of 395.57 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-3-[(1R)-2-oxo-1-thiophen-2-ylcyclohexyl]prop-1-enyl]-N-phenylpropanamide is sourced from PubChem (CID 132516383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).