N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide

C19H15BrN2O3S — CID 126009551

IUPACN-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Sc3ccccc3)o2)cc1
InChIInChI=1S/C19H15BrN2O3S/c1-24-14-9-7-13(8-10-14)18(23)22-21-12-15-11-17(20)19(25-15)26-16-5-3-2-4-6-16/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyQFZNREGYLNXSDH-MTJSOVHGSA-N
MW431.31 g/mol
LogP4.97
Rot. Bonds6

About N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide

N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide (PubChem CID 126009551) has the molecular formula C19H15BrN2O3S and a molecular weight of 431.31 g/mol. Its IUPAC name is N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide
PubChem CID126009551
Molecular FormulaC19H15BrN2O3S
Molecular Weight431.31 g/mol
Exact Mass430.00
IUPAC NameN-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Sc3ccccc3)o2)cc1
InChIInChI=1S/C19H15BrN2O3S/c1-24-14-9-7-13(8-10-14)18(23)22-21-12-15-11-17(20)19(25-15)26-16-5-3-2-4-6-16/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyQFZNREGYLNXSDH-MTJSOVHGSA-N
XLogP4.97
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.97
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-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-3-fluorobenzamide
CID 126006002
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 126003143
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
CID 3760972
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide
CID 1279253
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
CID 3300390
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide (CID 126009551) is N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2cc(Br)c(Sc3ccccc3)o2)cc1.
What is the InChIKey of N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide?
The InChIKey is QFZNREGYLNXSDH-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15BrN2O3S/c1-24-14-9-7-13(8-10-14)18(23)22-21-12-15-11-17(20)19(25-15)26-16-5-3-2-4-6-16/h2-12H,1H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide?
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide has a molecular weight of 431.31 g/mol, XLogP of 4.97, 6 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-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 126009551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).