N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide

C13H10Cl2N2OS — CID 5395244

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2N2OS/c14-11-4-1-5-12(15)10(11)8-16-17-13(18)7-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8-
InChIKeyZDCSAADEAJUMOD-PXNMLYILSA-N
MW313.21 g/mol
LogP3.75
Rot. Bonds4

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 5395244) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID5395244
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2N2OS/c14-11-4-1-5-12(15)10(11)8-16-17-13(18)7-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8-
InChIKeyZDCSAADEAJUMOD-PXNMLYILSA-N
XLogP3.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 7516719
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135680361
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
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-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5106080
N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212286
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 5395244) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C\c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is ZDCSAADEAJUMOD-PXNMLYILSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-11-4-1-5-12(15)10(11)8-16-17-13(18)7-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 313.21 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5395244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).