2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide

C19H22Cl2N2O5S — CID 46771835

IUPAC2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H22Cl2N2O5S/c1-22(11-13-8-9-16(27-2)17(10-13)28-3)18(24)12-23(29(4,25)26)15-7-5-6-14(20)19(15)21/h5-10H,11-12H2,1-4H3
InChIKeyMGPBCPYXOJGIJL-UHFFFAOYSA-N
MW461.37 g/mol
LogP3.44
Rot. Bonds8

About 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide

2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 46771835) has the molecular formula C19H22Cl2N2O5S and a molecular weight of 461.37 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID46771835
Molecular FormulaC19H22Cl2N2O5S
Molecular Weight461.37 g/mol
Exact Mass460.06
IUPAC Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H22Cl2N2O5S/c1-22(11-13-8-9-16(27-2)17(10-13)28-3)18(24)12-23(29(4,25)26)15-7-5-6-14(20)19(15)21/h5-10H,11-12H2,1-4H3
InChIKeyMGPBCPYXOJGIJL-UHFFFAOYSA-N
XLogP3.44
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92672008
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 46763702
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 28574072
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 99959166
2-(4-bromo-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 28632911
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 98094037
N-[(3,4-dimethoxyphenyl)methyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-methylacetamide
CID 99952322
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94019199
N-benzyl-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1098087
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 43909157
ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
CID 50892384
N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 30168992

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide (CID 46771835) is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is MGPBCPYXOJGIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O5S/c1-22(11-13-8-9-16(27-2)17(10-13)28-3)18(24)12-23(29(4,25)26)15-7-5-6-14(20)19(15)21/h5-10H,11-12H2,1-4H3.
What are the key properties of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 461.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 46771835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).