N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide

C16H15NO2S — CID 110698475

IUPACN-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(c3cccs3)CC2)cc1
InChIInChI=1S/C16H15NO2S/c1-11(18)12-4-6-13(7-5-12)17-15(19)16(8-9-16)14-3-2-10-20-14/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyCTVGYZDTUASYAE-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.62
Rot. Bonds4

About N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide

N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 110698475) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID110698475
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(c3cccs3)CC2)cc1
InChIInChI=1S/C16H15NO2S/c1-11(18)12-4-6-13(7-5-12)17-15(19)16(8-9-16)14-3-2-10-20-14/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyCTVGYZDTUASYAE-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698477
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90524845
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-(3-chlorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435317
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90595713
N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984
N-(2-chlorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435589
N-(2-fluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435427

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 110698475) is N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is CC(=O)c1ccc(NC(=O)C2(c3cccs3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is CTVGYZDTUASYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11(18)12-4-6-13(7-5-12)17-15(19)16(8-9-16)14-3-2-10-20-14/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110698475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).