N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide

C19H13Br2ClN2O3S — CID 124534060

IUPACN-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H13Br2ClN2O3S/c20-12-1-5-14(6-2-12)26-11-18(25)24-23-10-15-9-17(21)19(27-15)28-16-7-3-13(22)4-8-16/h1-10H,11H2,(H,24,25)/b23-10-
InChIKeyUVLWAOMWRSMENQ-RMORIDSASA-N
MW544.65 g/mol
LogP6.14
Rot. Bonds7

About N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide

N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide (PubChem CID 124534060) has the molecular formula C19H13Br2ClN2O3S and a molecular weight of 544.65 g/mol. Its IUPAC name is N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide
PubChem CID124534060
Molecular FormulaC19H13Br2ClN2O3S
Molecular Weight544.65 g/mol
Exact Mass541.87
IUPAC NameN-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H13Br2ClN2O3S/c20-12-1-5-14(6-2-12)26-11-18(25)24-23-10-15-9-17(21)19(27-15)28-16-7-3-13(22)4-8-16/h1-10H,11H2,(H,24,25)/b23-10-
InChIKeyUVLWAOMWRSMENQ-RMORIDSASA-N
XLogP6.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-2-carboxamide
CID 4669124
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126193694
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
CID 3760972
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3934800
N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 3312533
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide
CID 1279253
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide
CID 41338895
2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 126008441
2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1245916
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 137064523

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide (CID 124534060) is N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide?
The InChIKey is UVLWAOMWRSMENQ-RMORIDSASA-N. The full InChI is InChI=1S/C19H13Br2ClN2O3S/c20-12-1-5-14(6-2-12)26-11-18(25)24-23-10-15-9-17(21)19(27-15)28-16-7-3-13(22)4-8-16/h1-10H,11H2,(H,24,25)/b23-10-.
What are the key properties of N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide?
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide has a molecular weight of 544.65 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 124534060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).