2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

C23H22N2O2S — CID 5334383

IUPAC2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(CSCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-23(18-28-17-20-11-5-2-6-12-20)25-24-15-21-13-7-8-14-22(21)27-16-19-9-3-1-4-10-19/h1-15H,16-18H2,(H,25,26)/b24-15+
InChIKeyCLLNPIBGVXNLRQ-BUVRLJJBSA-N
MW390.51 g/mol
LogP4.65
Rot. Bonds9

About 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 5334383) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID5334383
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(CSCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-23(18-28-17-20-11-5-2-6-12-20)25-24-15-21-13-7-8-14-22(21)27-16-19-9-3-1-4-10-19/h1-15H,16-18H2,(H,25,26)/b24-15+
InChIKeyCLLNPIBGVXNLRQ-BUVRLJJBSA-N
XLogP4.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 5334383) is 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(CSCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is CLLNPIBGVXNLRQ-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-23(18-28-17-20-11-5-2-6-12-20)25-24-15-21-13-7-8-14-22(21)27-16-19-9-3-1-4-10-19/h1-15H,16-18H2,(H,25,26)/b24-15+.
What are the key properties of 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 390.51 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5334383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).