N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide

C14H12F3N3O2S — CID 10405156

IUPACN-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)C(F)(F)F)s1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)13(22)19-7-8-5-6-11(23-8)12(21)20-10-4-2-1-3-9(10)18/h1-6H,7,18H2,(H,19,22)(H,20,21)
InChIKeyDFARCOJZZSINPJ-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.76
Rot. Bonds4

About N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide (PubChem CID 10405156) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide
PubChem CID10405156
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC NameN-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)C(F)(F)F)s1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)13(22)19-7-8-5-6-11(23-8)12(21)20-10-4-2-1-3-9(10)18/h1-6H,7,18H2,(H,19,22)(H,20,21)
InChIKeyDFARCOJZZSINPJ-UHFFFAOYSA-N
XLogP2.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide (CID 10405156) is N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(CNC(=O)C(F)(F)F)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide?
The InChIKey is DFARCOJZZSINPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)13(22)19-7-8-5-6-11(23-8)12(21)20-10-4-2-1-3-9(10)18/h1-6H,7,18H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide?
N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 10405156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).