2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide

C18H22N2O4S2 — CID 2261372

IUPAC2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S2/c1-24-17-11-7-6-10-16(17)20(26(2,22)23)14-18(21)19-12-13-25-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyMAXZBZXTZDUMOV-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.37
Rot. Bonds9

About 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide

2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 2261372) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID2261372
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S2/c1-24-17-11-7-6-10-16(17)20(26(2,22)23)14-18(21)19-12-13-25-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyMAXZBZXTZDUMOV-UHFFFAOYSA-N
XLogP2.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)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

2-(2-ethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51342626
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2289798
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 30262952
N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30263050
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2283290
N-(3-benzylsulfanylpropyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 30243383
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 4179982
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2286242
2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30219336
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2281691
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 2283332

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide (CID 2261372) is 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide is COc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is MAXZBZXTZDUMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-24-17-11-7-6-10-16(17)20(26(2,22)23)14-18(21)19-12-13-25-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 2261372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).