2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide

C16H17F3N4OS — CID 111258385

IUPAC2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(F)c(F)c1F)NCc1cccs1
InChIInChI=1S/C16H17F3N4OS/c1-2-20-16(21-8-10-4-3-7-25-10)22-9-13(24)23-12-6-5-11(17)14(18)15(12)19/h3-7H,2,8-9H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyHHBKXBJEGGFUFG-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.86
Rot. Bonds6

About 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 111258385) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID111258385
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(F)c(F)c1F)NCc1cccs1
InChIInChI=1S/C16H17F3N4OS/c1-2-20-16(21-8-10-4-3-7-25-10)22-9-13(24)23-12-6-5-11(17)14(18)15(12)19/h3-7H,2,8-9H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyHHBKXBJEGGFUFG-UHFFFAOYSA-N
XLogP2.86
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[(5-methylthiophen-2-yl)methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111898652
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 110978271
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111126204
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110965889
2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111199112
2-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111395273
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111372769
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111943024
2-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111395272
2-[[[3-[di(propan-2-yl)amino]propylamino]-(ethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111691783
2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111693373

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 111258385) is 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide is CCN/C(=N\CC(=O)Nc1ccc(F)c(F)c1F)NCc1cccs1.
What is the InChIKey of 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is HHBKXBJEGGFUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c1-2-20-16(21-8-10-4-3-7-25-10)22-9-13(24)23-12-6-5-11(17)14(18)15(12)19/h3-7H,2,8-9H2,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 370.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 111258385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).