2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

C15H14FNO2S — CID 28729667

IUPAC2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H14FNO2S/c1-10(18)14-6-12(9-20-14)7-15(19)17-8-11-2-4-13(16)5-3-11/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKeyOYEANJWCMDMGDQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.95
Rot. Bonds5

About 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 28729667) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID28729667
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H14FNO2S/c1-10(18)14-6-12(9-20-14)7-15(19)17-8-11-2-4-13(16)5-3-11/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKeyOYEANJWCMDMGDQ-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 28729667) is 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)c1cc(CC(=O)NCc2ccc(F)cc2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is OYEANJWCMDMGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-10(18)14-6-12(9-20-14)7-15(19)17-8-11-2-4-13(16)5-3-11/h2-6,9H,7-8H2,1H3,(H,17,19).
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 28729667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).