2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C16H16F3N3O2S — CID 17431288

IUPAC2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H16F3N3O2S/c1-22(8-13(23)20-7-10-3-2-6-25-10)9-14(24)21-12-5-4-11(17)15(18)16(12)19/h2-6H,7-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyKEJFJPGMPTVTTL-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.35
Rot. Bonds7

About 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17431288) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17431288
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC Name2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H16F3N3O2S/c1-22(8-13(23)20-7-10-3-2-6-25-10)9-14(24)21-12-5-4-11(17)15(18)16(12)19/h2-6H,7-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyKEJFJPGMPTVTTL-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 17431288) is 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KEJFJPGMPTVTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c1-22(8-13(23)20-7-10-3-2-6-25-10)9-14(24)21-12-5-4-11(17)15(18)16(12)19/h2-6H,7-9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 371.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17431288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).