(2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide

C18H16F3N3O3S — CID 24606203

IUPAC(2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(/C=N/OCC(=O)N1CCc2sccc2C1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O3S/c19-18(20,21)13-2-1-3-14(8-13)23-16(25)9-22-27-11-17(26)24-6-4-15-12(10-24)5-7-28-15/h1-3,5,7-9H,4,6,10-11H2,(H,23,25)/b22-9+
InChIKeyWHIGFKXGZKIPEL-LSFURLLWSA-N
MW411.41 g/mol
LogP3.29
Rot. Bonds5

About (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide

(2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 24606203) has the molecular formula C18H16F3N3O3S and a molecular weight of 411.41 g/mol. Its IUPAC name is (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID24606203
Molecular FormulaC18H16F3N3O3S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC Name(2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(/C=N/OCC(=O)N1CCc2sccc2C1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O3S/c19-18(20,21)13-2-1-3-14(8-13)23-16(25)9-22-27-11-17(26)24-6-4-15-12(10-24)5-7-28-15/h1-3,5,7-9H,4,6,10-11H2,(H,23,25)/b22-9+
InChIKeyWHIGFKXGZKIPEL-LSFURLLWSA-N
XLogP3.29
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3456323
N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide
CID 24581644
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide
CID 6892636
N-[3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616045
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 30001704
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 24606467
(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666200
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide
CID 52694766
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888504
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-ethylanilino)ethanone
CID 43388508
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
CID 55902295

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide (CID 24606203) is (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(/C=N/OCC(=O)N1CCc2sccc2C1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WHIGFKXGZKIPEL-LSFURLLWSA-N. The full InChI is InChI=1S/C18H16F3N3O3S/c19-18(20,21)13-2-1-3-14(8-13)23-16(25)9-22-27-11-17(26)24-6-4-15-12(10-24)5-7-28-15/h1-3,5,7-9H,4,6,10-11H2,(H,23,25)/b22-9+.
What are the key properties of (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide?
(2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 411.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24606203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).