2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide

C12H16Cl2N2O4S — CID 46919892

IUPAC2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C12H16Cl2N2O4S/c1-20-7-6-15-11(17)8-16(21(2,18)19)10-5-3-4-9(13)12(10)14/h3-5H,6-8H2,1-2H3,(H,15,17)
InChIKeyMJTAFTDKCWZWSQ-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.52
Rot. Bonds7

About 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide

2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 46919892) has the molecular formula C12H16Cl2N2O4S and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
PubChem CID46919892
Molecular FormulaC12H16Cl2N2O4S
Molecular Weight355.24 g/mol
Exact Mass354.02
IUPAC Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C12H16Cl2N2O4S/c1-20-7-6-15-11(17)8-16(21(2,18)19)10-5-3-4-9(13)12(10)14/h3-5H,6-8H2,1-2H3,(H,15,17)
InChIKeyMJTAFTDKCWZWSQ-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dichloro-N-methylsulfonylanilino)-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

N-(2-methoxyethyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3464588
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
CID 3139242
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30225723
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99971213
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 30225921
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113072052
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 55135596
ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
CID 50892384

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide (CID 46919892) is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is MJTAFTDKCWZWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4S/c1-20-7-6-15-11(17)8-16(21(2,18)19)10-5-3-4-9(13)12(10)14/h3-5H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide?
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 355.24 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46919892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).