3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide

C23H18N2O3S — CID 6059252

IUPAC3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C23H18N2O3S/c1-27-21-14-17-8-6-5-7-16(17)13-20(21)23(26)25-24-15-18-11-12-22(28-18)29-19-9-3-2-4-10-19/h2-15H,1H3,(H,25,26)/b24-15-
InChIKeyZPKLQCHWBGZBDN-IWIPYMOSSA-N
MW402.48 g/mol
LogP5.36
Rot. Bonds6

About 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide

3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 6059252) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
PubChem CID6059252
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C23H18N2O3S/c1-27-21-14-17-8-6-5-7-16(17)13-20(21)23(26)25-24-15-18-11-12-22(28-18)29-19-9-3-2-4-10-19/h2-15H,1H3,(H,25,26)/b24-15-
InChIKeyZPKLQCHWBGZBDN-IWIPYMOSSA-N
XLogP5.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.36
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)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6087182
N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3645781
4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 1244627
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3092708
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide
CID 126193344

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide (CID 6059252) is 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(Sc2ccccc2)o1.
What is the InChIKey of 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is ZPKLQCHWBGZBDN-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-27-21-14-17-8-6-5-7-16(17)13-20(21)23(26)25-24-15-18-11-12-22(28-18)29-19-9-3-2-4-10-19/h2-15H,1H3,(H,25,26)/b24-15-.
What are the key properties of 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide?
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6059252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).