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

C19H14ClIN2O3S — CID 126194323

IUPACN-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
SMILESO=C(COc1ccccc1I)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H14ClIN2O3S/c20-13-5-8-15(9-6-13)27-19-10-7-14(26-19)11-22-23-18(24)12-25-17-4-2-1-3-16(17)21/h1-11H,12H2,(H,23,24)/b22-11+
InChIKeyWTFHFCRVWBJMKU-SSDVNMTOSA-N
MW512.76 g/mol
LogP5.22
Rot. Bonds7

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

N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide (PubChem CID 126194323) has the molecular formula C19H14ClIN2O3S and a molecular weight of 512.76 g/mol. Its IUPAC name is N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
PubChem CID126194323
Molecular FormulaC19H14ClIN2O3S
Molecular Weight512.76 g/mol
Exact Mass511.95
IUPAC NameN-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
SMILESO=C(COc1ccccc1I)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H14ClIN2O3S/c20-13-5-8-15(9-6-13)27-19-10-7-14(26-19)11-22-23-18(24)12-25-17-4-2-1-3-16(17)21/h1-11H,12H2,(H,23,24)/b22-11+
InChIKeyWTFHFCRVWBJMKU-SSDVNMTOSA-N
XLogP5.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.76
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126193694
N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
CID 74017319
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126193221
2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 1040366
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
N-[(E)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 126191552
N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
CID 2820754
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 126192668

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide?
The IUPAC name of N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide (CID 126194323) is N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide.
What is the SMILES notation for N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide?
The canonical SMILES for N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide is O=C(COc1ccccc1I)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide?
The InChIKey is WTFHFCRVWBJMKU-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14ClIN2O3S/c20-13-5-8-15(9-6-13)27-19-10-7-14(26-19)11-22-23-18(24)12-25-17-4-2-1-3-16(17)21/h1-11H,12H2,(H,23,24)/b22-11+.
What are the key properties of N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide?
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide has a molecular weight of 512.76 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide is sourced from PubChem (CID 126194323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).