N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide

C13H11F3N2OS — CID 66386020

IUPACN-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1c(F)cc(F)cc1F
InChIInChI=1S/C13H11F3N2OS/c1-7(19)18-11-2-3-20-12(11)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17H,6H2,1H3,(H,18,19)
InChIKeySXCFZPWOQCJOHQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.74
Rot. Bonds4

About N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66386020) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66386020
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC NameN-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1c(F)cc(F)cc1F
InChIInChI=1S/C13H11F3N2OS/c1-7(19)18-11-2-3-20-12(11)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17H,6H2,1H3,(H,18,19)
InChIKeySXCFZPWOQCJOHQ-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide (CID 66386020) is N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1c(F)cc(F)cc1F.
What is the InChIKey of N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is SXCFZPWOQCJOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-7(19)18-11-2-3-20-12(11)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17H,6H2,1H3,(H,18,19).
What are the key properties of N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4,6-trifluoroanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).