2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C18H20F3N3O2S — CID 8906157

IUPAC2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3N3O2S/c1-2-24(11-16(25)22-10-15-4-3-9-27-15)12-17(26)23-14-7-5-13(6-8-14)18(19,20)21/h3-9H,2,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyBGENOFKDTXLCSA-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.34
Rot. Bonds8

About 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8906157) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8906157
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC Name2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3N3O2S/c1-2-24(11-16(25)22-10-15-4-3-9-27-15)12-17(26)23-14-7-5-13(6-8-14)18(19,20)21/h3-9H,2,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyBGENOFKDTXLCSA-UHFFFAOYSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 78787473
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122
N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 5035064
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 9113454
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetamide
CID 8906099
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905810
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47069094

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 8906157) is 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BGENOFKDTXLCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c1-2-24(11-16(25)22-10-15-4-3-9-27-15)12-17(26)23-14-7-5-13(6-8-14)18(19,20)21/h3-9H,2,10-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 399.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8906157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).