2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide

C18H19ClN2O3S — CID 2821278

IUPAC2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide
SMILESCC(=NOCC(=O)N=S(C)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13-4-10-17(11-5-13)25(3,23)21-18(22)12-24-20-14(2)15-6-8-16(19)9-7-15/h4-11H,12H2,1-3H3
InChIKeyOGKKUVPWFVWFBP-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.07
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide

2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide (PubChem CID 2821278) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide
PubChem CID2821278
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide
SMILESCC(=NOCC(=O)N=S(C)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13-4-10-17(11-5-13)25(3,23)21-18(22)12-24-20-14(2)15-6-8-16(19)9-7-15/h4-11H,12H2,1-3H3
InChIKeyOGKKUVPWFVWFBP-UHFFFAOYSA-N
XLogP4.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.07
H-Bond Donors ≤ 50
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'}

Analyze 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43879267
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium
CID 58963853
(2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate
CID 2819934
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 6914396
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 3059120
(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine
CID 134852362
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide (CID 2821278) is 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide is CC(=NOCC(=O)N=S(C)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide?
The InChIKey is OGKKUVPWFVWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-4-10-17(11-5-13)25(3,23)21-18(22)12-24-20-14(2)15-6-8-16(19)9-7-15/h4-11H,12H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide?
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide has a molecular weight of 378.88 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide is sourced from PubChem (CID 2821278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).