1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one

C19H22N2O2S — CID 67634039

IUPAC1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one
SMILESCOc1ccc(NN=CC(=O)CSc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-14(2)15-4-10-19(11-5-15)24-13-17(22)12-20-21-16-6-8-18(23-3)9-7-16/h4-12,14,21H,13H2,1-3H3
InChIKeyGNODOADIFUFTLF-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.58
Rot. Bonds8

About 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one

1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one (PubChem CID 67634039) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one
PubChem CID67634039
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one
SMILESCOc1ccc(NN=CC(=O)CSc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-14(2)15-4-10-19(11-5-15)24-13-17(22)12-20-21-16-6-8-18(23-3)9-7-16/h4-12,14,21H,13H2,1-3H3
InChIKeyGNODOADIFUFTLF-UHFFFAOYSA-N
XLogP4.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.58
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

1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
CID 67633279
1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
CID 67634566
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 119527201
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
1-[3-(4-methoxyphenyl)sulfanylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100755456
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one (CID 67634039) is 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one is COc1ccc(NN=CC(=O)CSc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one?
The InChIKey is GNODOADIFUFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14(2)15-4-10-19(11-5-15)24-13-17(22)12-20-21-16-6-8-18(23-3)9-7-16/h4-12,14,21H,13H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one?
1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one has a molecular weight of 342.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 67634039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).