N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide

C19H12Cl4N2O3S — CID 40988830

IUPACN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H12Cl4N2O3S/c20-11-1-4-14(5-2-11)29-18-6-3-13(28-18)9-24-25-17(26)10-27-16-8-12(21)7-15(22)19(16)23/h1-9H,10H2,(H,25,26)/b24-9-
InChIKeyUSVDJJMCPJUDDH-OPVMPGTRSA-N
MW490.20 g/mol
LogP6.57
Rot. Bonds7

About N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide

N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide (PubChem CID 40988830) has the molecular formula C19H12Cl4N2O3S and a molecular weight of 490.20 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
PubChem CID40988830
Molecular FormulaC19H12Cl4N2O3S
Molecular Weight490.20 g/mol
Exact Mass487.93
IUPAC NameN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H12Cl4N2O3S/c20-11-1-4-14(5-2-11)29-18-6-3-13(28-18)9-24-25-17(26)10-27-16-8-12(21)7-15(22)19(16)23/h1-9H,10H2,(H,25,26)/b24-9-
InChIKeyUSVDJJMCPJUDDH-OPVMPGTRSA-N
XLogP6.57
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.20
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126006841
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126191266
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126193694
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126193221
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 6174342
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide (CID 40988830) is N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The InChIKey is USVDJJMCPJUDDH-OPVMPGTRSA-N. The full InChI is InChI=1S/C19H12Cl4N2O3S/c20-11-1-4-14(5-2-11)29-18-6-3-13(28-18)9-24-25-17(26)10-27-16-8-12(21)7-15(22)19(16)23/h1-9H,10H2,(H,25,26)/b24-9-.
What are the key properties of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide has a molecular weight of 490.20 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 40988830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).