2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide

C12H9F3N2OS — CID 115287194

IUPAC2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide
SMILESNC(C(=O)Nc1cc(F)cc(F)c1F)c1cccs1
InChIInChI=1S/C12H9F3N2OS/c13-6-4-7(14)10(15)8(5-6)17-12(18)11(16)9-2-1-3-19-9/h1-5,11H,16H2,(H,17,18)
InChIKeyJUBZWELJMLYORN-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.80
Rot. Bonds3

About 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide

2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide (PubChem CID 115287194) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide
PubChem CID115287194
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide
SMILESNC(C(=O)Nc1cc(F)cc(F)c1F)c1cccs1
InChIInChI=1S/C12H9F3N2OS/c13-6-4-7(14)10(15)8(5-6)17-12(18)11(16)9-2-1-3-19-9/h1-5,11H,16H2,(H,17,18)
InChIKeyJUBZWELJMLYORN-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
2-amino-N-(2-fluoro-5-methoxyphenyl)-2-thiophen-2-ylacetamide
CID 115287518
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-2-thiophen-2-yl-N-thiophen-3-ylacetamide
CID 115287455
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
CID 94872912
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
methyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbenzoate
CID 115286394
methyl 2-[(2-amino-2-thiophen-2-ylacetyl)amino]-5-methylbenzoate
CID 115286191
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404
2-amino-N-[2-(2-methoxyethyl)phenyl]-2-thiophen-2-ylacetamide
CID 102905627
2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide
CID 107805098

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide?
The IUPAC name of 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide (CID 115287194) is 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide is NC(C(=O)Nc1cc(F)cc(F)c1F)c1cccs1.
What is the InChIKey of 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide?
The InChIKey is JUBZWELJMLYORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c13-6-4-7(14)10(15)8(5-6)17-12(18)11(16)9-2-1-3-19-9/h1-5,11H,16H2,(H,17,18).
What are the key properties of 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide?
2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide has a molecular weight of 286.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-thiophen-2-yl-N-(2,3,5-trifluorophenyl)acetamide is sourced from PubChem (CID 115287194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).