N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide

C13H7F5N2OS — CID 7516719

IUPACN-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H7F5N2OS/c14-9-7(10(15)12(17)13(18)11(9)16)5-19-20-8(21)4-6-2-1-3-22-6/h1-3,5H,4H2,(H,20,21)/b19-5-
InChIKeyIQSXHAOFXKRFIK-IPKBDRFQSA-N
MW334.27 g/mol
LogP3.14
Rot. Bonds4

About N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 7516719) has the molecular formula C13H7F5N2OS and a molecular weight of 334.27 g/mol. Its IUPAC name is N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID7516719
Molecular FormulaC13H7F5N2OS
Molecular Weight334.27 g/mol
Exact Mass334.02
IUPAC NameN-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H7F5N2OS/c14-9-7(10(15)12(17)13(18)11(9)16)5-19-20-8(21)4-6-2-1-3-22-6/h1-3,5H,4H2,(H,20,21)/b19-5-
InChIKeyIQSXHAOFXKRFIK-IPKBDRFQSA-N
XLogP3.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5395244
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6862500
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 879016
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135680361
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-(naphthalen-1-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 2064176
N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6893906
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6862493
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 7516719) is N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C\c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is IQSXHAOFXKRFIK-IPKBDRFQSA-N. The full InChI is InChI=1S/C13H7F5N2OS/c14-9-7(10(15)12(17)13(18)11(9)16)5-19-20-8(21)4-6-2-1-3-22-6/h1-3,5H,4H2,(H,20,21)/b19-5-.
What are the key properties of N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 334.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7516719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).