2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid

C19H22N2O6S — CID 15945121

IUPAC2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid
SMILESCOCCNCC(=O)Nc1ccccc1Sc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H20N2O2S.C2H2O4/c1-21-12-11-18-13-17(20)19-15-9-5-6-10-16(15)22-14-7-3-2-4-8-14;3-1(4)2(5)6/h2-10,18H,11-13H2,1H3,(H,19,20);(H,3,4)(H,5,6)
InChIKeyGGXOTPNZVZJAAK-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.17
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid

2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid (PubChem CID 15945121) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid
PubChem CID15945121
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid
SMILESCOCCNCC(=O)Nc1ccccc1Sc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H20N2O2S.C2H2O4/c1-21-12-11-18-13-17(20)19-15-9-5-6-10-16(15)22-14-7-3-2-4-8-14;3-1(4)2(5)6/h2-10,18H,11-13H2,1H3,(H,19,20);(H,3,4)(H,5,6)
InChIKeyGGXOTPNZVZJAAK-UHFFFAOYSA-N
XLogP2.17
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid 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

2-(2-Methoxy-ethylamino)-1-phenothiazin-10-yl-ethanone
CID 3215288
(2-Oxo-2-phenothiazin-10-ylethyl) 2-acetamidoacetate
CID 2371061
ethyl 4-(2-oxo-2-(10H-phenothiazin-10-yl)ethyl)piperazine-1-carboxylate oxalate
CID 2990800
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3900118
2-(4-methylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid
CID 16189672
N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide;oxalic acid
CID 16243292
[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] butanoate
CID 2128135
2-morpholin-4-yl-N-(2-phenylsulfanylphenyl)acetamide
CID 2517027
ethyl N-[(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetyl]glycinate
CID 3243660
2-(2-Methylpropylamino)-1-phenothiazin-10-ylethanone;oxalic acid
CID 11948742
2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid
CID 15944936
N-(2-Fluorophenyl)-2-(methyl(2-((2-(methylthio)phenyl)amino)-2-oxoethyl)amino)acetamide oxalate
CID 15945240

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid?
The IUPAC name of 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid (CID 15945121) is 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid is COCCNCC(=O)Nc1ccccc1Sc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid?
The InChIKey is GGXOTPNZVZJAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.C2H2O4/c1-21-12-11-18-13-17(20)19-15-9-5-6-10-16(15)22-14-7-3-2-4-8-14;3-1(4)2(5)6/h2-10,18H,11-13H2,1H3,(H,19,20);(H,3,4)(H,5,6).
What are the key properties of 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid?
2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid has a molecular weight of 406.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid is sourced from PubChem (CID 15945121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).