2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide

C15H13F2NO2S — CID 29086932

IUPAC2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)NCc2cccc(F)c2F)cs1
InChIInChI=1S/C15H13F2NO2S/c1-9(19)13-5-10(8-21-13)6-14(20)18-7-11-3-2-4-12(16)15(11)17/h2-5,8H,6-7H2,1H3,(H,18,20)
InChIKeyVDPBHVJBCFCFPU-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.09
Rot. Bonds5

About 2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide (PubChem CID 29086932) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide
PubChem CID29086932
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)NCc2cccc(F)c2F)cs1
InChIInChI=1S/C15H13F2NO2S/c1-9(19)13-5-10(8-21-13)6-14(20)18-7-11-3-2-4-12(16)15(11)17/h2-5,8H,6-7H2,1H3,(H,18,20)
InChIKeyVDPBHVJBCFCFPU-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.09
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-[(2,3-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide (CID 29086932) is 2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide is CC(=O)c1cc(CC(=O)NCc2cccc(F)c2F)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide?
The InChIKey is VDPBHVJBCFCFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-9(19)13-5-10(8-21-13)6-14(20)18-7-11-3-2-4-12(16)15(11)17/h2-5,8H,6-7H2,1H3,(H,18,20).
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(2,3-difluorophenyl)methyl]acetamide has a molecular weight of 309.34 g/mol, XLogP of 3.09, 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-[(2,3-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 29086932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).