N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide

C20H17ClN2O4S — CID 126193694

IUPACN-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C20H17ClN2O4S/c1-25-15-4-6-16(7-5-15)26-13-19(24)23-22-12-17-8-11-20(27-17)28-18-9-2-14(21)3-10-18/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyQMFHFAUMBZULCY-WSDLNYQXSA-N
MW416.89 g/mol
LogP4.62
Rot. Bonds8

About N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 126193694) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID126193694
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC NameN-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C20H17ClN2O4S/c1-25-15-4-6-16(7-5-15)26-13-19(24)23-22-12-17-8-11-20(27-17)28-18-9-2-14(21)3-10-18/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyQMFHFAUMBZULCY-WSDLNYQXSA-N
XLogP4.62
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 40988830
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126191266
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide
CID 124534060
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126193221
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
2-(4-chlorophenoxy)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 7035809
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
2-(4-chlorophenoxy)-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
CID 126191967
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315889
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 126193694) is N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is QMFHFAUMBZULCY-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-25-15-4-6-16(7-5-15)26-13-19(24)23-22-12-17-8-11-20(27-17)28-18-9-2-14(21)3-10-18/h2-12H,13H2,1H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 416.89 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 126193694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).