N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide

C27H24N2S — CID 134928838

IUPACN-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide
SMILESCc1ccccc1/N=C(\Cc1ccccc1)N=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24N2S/c1-22-13-11-12-20-26(22)28-27(21-23-14-5-2-6-15-23)29-30(24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-20H,21H2,1H3/b28-27+
InChIKeyHFTKSPLFSQYTOD-BYYHNAKLSA-N
MW408.57 g/mol
LogP7.19
Rot. Bonds5

About N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide

N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide (PubChem CID 134928838) has the molecular formula C27H24N2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide.

Molecular Properties

Compound NameN-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide
PubChem CID134928838
Molecular FormulaC27H24N2S
Molecular Weight408.57 g/mol
Exact Mass408.17
IUPAC NameN-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide
SMILESCc1ccccc1/N=C(\Cc1ccccc1)N=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24N2S/c1-22-13-11-12-20-26(22)28-27(21-23-14-5-2-6-15-23)29-30(24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-20H,21H2,1H3/b28-27+
InChIKeyHFTKSPLFSQYTOD-BYYHNAKLSA-N
XLogP7.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide?
The IUPAC name of N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide (CID 134928838) is N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide.
What is the SMILES notation for N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide?
The canonical SMILES for N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide is Cc1ccccc1/N=C(\Cc1ccccc1)N=S(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide?
The InChIKey is HFTKSPLFSQYTOD-BYYHNAKLSA-N. The full InChI is InChI=1S/C27H24N2S/c1-22-13-11-12-20-26(22)28-27(21-23-14-5-2-6-15-23)29-30(24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-20H,21H2,1H3/b28-27+.
What are the key properties of N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide?
N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide has a molecular weight of 408.57 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenyl-λ4-sulfanylidene)-N'-(2-methylphenyl)-2-phenylethanimidamide is sourced from PubChem (CID 134928838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).