2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C19H22Cl2N2O6S — CID 30225723

IUPAC2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c(OC)c1OC
InChIInChI=1S/C19H22Cl2N2O6S/c1-27-15-9-8-12(18(28-2)19(15)29-3)10-22-16(24)11-23(30(4,25)26)14-7-5-6-13(20)17(14)21/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyOEQIDZDATOYBQX-UHFFFAOYSA-N
MW477.37 g/mol
LogP3.10
Rot. Bonds9

About 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 30225723) has the molecular formula C19H22Cl2N2O6S and a molecular weight of 477.37 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID30225723
Molecular FormulaC19H22Cl2N2O6S
Molecular Weight477.37 g/mol
Exact Mass476.06
IUPAC Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c(OC)c1OC
InChIInChI=1S/C19H22Cl2N2O6S/c1-27-15-9-8-12(18(28-2)19(15)29-3)10-22-16(24)11-23(30(4,25)26)14-7-5-6-13(20)17(14)21/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyOEQIDZDATOYBQX-UHFFFAOYSA-N
XLogP3.10
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]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-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30222080
N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30226235
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94019199
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126415640
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 982667
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30202883
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30229852
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
N-[(2,4-dichlorophenyl)methyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342745

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 30225723) is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c(OC)c1OC.
What is the InChIKey of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is OEQIDZDATOYBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O6S/c1-27-15-9-8-12(18(28-2)19(15)29-3)10-22-16(24)11-23(30(4,25)26)14-7-5-6-13(20)17(14)21/h5-9H,10-11H2,1-4H3,(H,22,24).
What are the key properties of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 477.37 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30225723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).