3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide

C16H14FNOS — CID 68940319

IUPAC3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide
SMILESCc1cc(C#CC(=O)NCCc2cccs2)ccc1F
InChIInChI=1S/C16H14FNOS/c1-12-11-13(4-6-15(12)17)5-7-16(19)18-9-8-14-3-2-10-20-14/h2-4,6,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyARLIAVWRXMVBAI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.91
Rot. Bonds3

About 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide

3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide (PubChem CID 68940319) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide
PubChem CID68940319
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide
SMILESCc1cc(C#CC(=O)NCCc2cccs2)ccc1F
InChIInChI=1S/C16H14FNOS/c1-12-11-13(4-6-15(12)17)5-7-16(19)18-9-8-14-3-2-10-20-14/h2-4,6,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyARLIAVWRXMVBAI-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61190854
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
3-(3-aminoprop-1-ynyl)-4-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 81459366
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
4-chloro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61191026
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide (CID 68940319) is 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide is Cc1cc(C#CC(=O)NCCc2cccs2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide?
The InChIKey is ARLIAVWRXMVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-12-11-13(4-6-15(12)17)5-7-16(19)18-9-8-14-3-2-10-20-14/h2-4,6,10-11H,8-9H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide?
3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide has a molecular weight of 287.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide is sourced from PubChem (CID 68940319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).