N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide

C22H18Cl2N2O2S — CID 2820754

IUPACN-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1CSc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O2S/c23-18-7-5-16(6-8-18)13-25-26-22(27)14-28-21-4-2-1-3-17(21)15-29-20-11-9-19(24)10-12-20/h1-13H,14-15H2,(H,26,27)
InChIKeyCAMWZQWVFSPKLL-UHFFFAOYSA-N
MW445.37 g/mol
LogP5.81
Rot. Bonds8

About N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide

N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide (PubChem CID 2820754) has the molecular formula C22H18Cl2N2O2S and a molecular weight of 445.37 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
PubChem CID2820754
Molecular FormulaC22H18Cl2N2O2S
Molecular Weight445.37 g/mol
Exact Mass444.05
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1CSc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O2S/c23-18-7-5-16(6-8-18)13-25-26-22(27)14-28-21-4-2-1-3-17(21)15-29-20-11-9-19(24)10-12-20/h1-13H,14-15H2,(H,26,27)
InChIKeyCAMWZQWVFSPKLL-UHFFFAOYSA-N
XLogP5.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.37
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(4-chlorophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 6174342
N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922562
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-(2-chlorophenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426500
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
2-(2-ethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182513

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide (CID 2820754) is N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide is O=C(COc1ccccc1CSc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide?
The InChIKey is CAMWZQWVFSPKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2S/c23-18-7-5-16(6-8-18)13-25-26-22(27)14-28-21-4-2-1-3-17(21)15-29-20-11-9-19(24)10-12-20/h1-13H,14-15H2,(H,26,27).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide?
N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide has a molecular weight of 445.37 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide is sourced from PubChem (CID 2820754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).