2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide

C18H22N2O4S — CID 30169183

IUPAC2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-15-7-6-8-16(13-15)20(14-18(21)19-11-12-24-2)25(22,23)17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)
InChIKeyVVHBOPWSPDUIRH-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.95
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide

2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide (PubChem CID 30169183) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
PubChem CID30169183
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-15-7-6-8-16(13-15)20(14-18(21)19-11-12-24-2)25(22,23)17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)
InChIKeyVVHBOPWSPDUIRH-UHFFFAOYSA-N
XLogP1.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)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-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211247
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 2889686
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
CID 51345177
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
3-[ethyl-(3-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063706
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 126031649
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30175041
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43891929
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057166

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide (CID 30169183) is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VVHBOPWSPDUIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-15-7-6-8-16(13-15)20(14-18(21)19-11-12-24-2)25(22,23)17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,19,21).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide?
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 30169183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).