(2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone

C32H23NO3S — CID 118360147

About (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone

(2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone (PubChem CID 118360147) has the molecular formula C32H23NO3S and a molecular weight of 501.61 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone.

Molecular Properties

• Compound Name: (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone
• PubChem CID: 118360147
• Molecular Formula: C32H23NO3S
• Molecular Weight: 501.61 g/mol
• Exact Mass: 501.14
• IUPAC Name: (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone
• SMILES: Cc1ccccc1/C(=N/O)C(=O)c1ccc(Sc2ccc(C(=O)c3ccc4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C32H23NO3S/c1-21-6-2-5-9-29(21)30(33-36)32(35)24-14-18-28(19-15-24)37-27-16-12-23(13-17-27)31(34)26-11-10-22-7-3-4-8-25(22)20-26/h2-20,36H,1H3/b33-30-
• InChIKey: VAWGFLDJLUYUQO-MEIHLTSWSA-N
• XLogP: 7.59
• TPSA: 66.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.61
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone?

The IUPAC name of (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone (CID 118360147) is (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone.

What is the SMILES notation for (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone?

The canonical SMILES for (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone is Cc1ccccc1/C(=N/O)C(=O)c1ccc(Sc2ccc(C(=O)c3ccc4ccccc4c3)cc2)cc1.

What is the InChIKey of (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone?

The InChIKey is VAWGFLDJLUYUQO-MEIHLTSWSA-N. The full InChI is InChI=1S/C32H23NO3S/c1-21-6-2-5-9-29(21)30(33-36)32(35)24-14-18-28(19-15-24)37-27-16-12-23(13-17-27)31(34)26-11-10-22-7-3-4-8-25(22)20-26/h2-20,36H,1H3/b33-30-.

What are the key properties of (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone?

(2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone has a molecular weight of 501.61 g/mol, XLogP of 7.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-hydroxyimino-2-(2-methylphenyl)-1-[4-[4-(naphthalene-2-carbonyl)phenyl]sulfanylphenyl]ethanone is sourced from PubChem (CID 118360147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).