2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C24H24N2O4S — CID 56683226

IUPAC2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)CSc2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4S/c1-28-21-13-17(14-22(29-2)24(21)30-3)15-25-26-23(27)16-31-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H,26,27)/b25-15+
InChIKeyDUVOCEGEGGHSGE-MFKUBSTISA-N
MW436.53 g/mol
LogP4.62
Rot. Bonds9

About 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 56683226) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID56683226
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)CSc2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4S/c1-28-21-13-17(14-22(29-2)24(21)30-3)15-25-26-23(27)16-31-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H,26,27)/b25-15+
InChIKeyDUVOCEGEGGHSGE-MFKUBSTISA-N
XLogP4.62
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 56683226) is 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)CSc2ccc(-c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is DUVOCEGEGGHSGE-MFKUBSTISA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-28-21-13-17(14-22(29-2)24(21)30-3)15-25-26-23(27)16-31-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H,26,27)/b25-15+.
What are the key properties of 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 436.53 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 56683226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).