1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one

C18H20N2O2S — CID 67634566

IUPAC1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
SMILESCOc1ccc(NN=CC(=O)CSc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-4-5-14(2)18(10-13)23-12-16(21)11-19-20-15-6-8-17(22-3)9-7-15/h4-11,20H,12H2,1-3H3
InChIKeyGPVADQUDPJBTLU-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.07
Rot. Bonds7

About 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one

1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one (PubChem CID 67634566) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
PubChem CID67634566
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
SMILESCOc1ccc(NN=CC(=O)CSc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-4-5-14(2)18(10-13)23-12-16(21)11-19-20-15-6-8-17(22-3)9-7-15/h4-11,20H,12H2,1-3H3
InChIKeyGPVADQUDPJBTLU-UHFFFAOYSA-N
XLogP4.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.07
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-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one
CID 67634039
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
2-(2,5-dimethylphenyl)sulfanyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 30318962
4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
4-(2,5-dimethylphenyl)sulfanyl-2-(4-methoxyphenoxy)butanoic acid
CID 68860074
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788503
methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43405647
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7889811
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 18225273

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one (CID 67634566) is 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one is COc1ccc(NN=CC(=O)CSc2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The InChIKey is GPVADQUDPJBTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-4-5-14(2)18(10-13)23-12-16(21)11-19-20-15-6-8-17(22-3)9-7-15/h4-11,20H,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one has a molecular weight of 328.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one is sourced from PubChem (CID 67634566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).