2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide

C21H25NO2S — CID 118783858

IUPAC2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide
SMILESCC(=O)c1cc(CC(=O)N(C)CC2(c3ccccc3)CC2(C)C)cs1
InChIInChI=1S/C21H25NO2S/c1-15(23)18-10-16(12-25-18)11-19(24)22(4)14-21(13-20(21,2)3)17-8-6-5-7-9-17/h5-10,12H,11,13-14H2,1-4H3
InChIKeyITKJSQGSYQIKEM-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.32
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide

2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide (PubChem CID 118783858) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide
PubChem CID118783858
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide
SMILESCC(=O)c1cc(CC(=O)N(C)CC2(c3ccccc3)CC2(C)C)cs1
InChIInChI=1S/C21H25NO2S/c1-15(23)18-10-16(12-25-18)11-19(24)22(4)14-21(13-20(21,2)3)17-8-6-5-7-9-17/h5-10,12H,11,13-14H2,1-4H3
InChIKeyITKJSQGSYQIKEM-UHFFFAOYSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide (CID 118783858) is 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide is CC(=O)c1cc(CC(=O)N(C)CC2(c3ccccc3)CC2(C)C)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide?
The InChIKey is ITKJSQGSYQIKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-15(23)18-10-16(12-25-18)11-19(24)22(4)14-21(13-20(21,2)3)17-8-6-5-7-9-17/h5-10,12H,11,13-14H2,1-4H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide?
2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide has a molecular weight of 355.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methylacetamide is sourced from PubChem (CID 118783858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).