2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide

C15H13F3N2O2S — CID 108933744

IUPAC2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide
SMILESO=C(Cc1cccs1)NCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)14(22)20-11-5-3-10(4-6-11)9-19-13(21)8-12-2-1-7-23-12/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeySIPRWBIVMNZICG-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.11
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide (PubChem CID 108933744) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide
PubChem CID108933744
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide
SMILESO=C(Cc1cccs1)NCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)14(22)20-11-5-3-10(4-6-11)9-19-13(21)8-12-2-1-7-23-12/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeySIPRWBIVMNZICG-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933632
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 51332838
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide (CID 108933744) is 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide is O=C(Cc1cccs1)NCc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide?
The InChIKey is SIPRWBIVMNZICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c16-15(17,18)14(22)20-11-5-3-10(4-6-11)9-19-13(21)8-12-2-1-7-23-12/h1-7H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide has a molecular weight of 342.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108933744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).