2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C22H31N3O6S — CID 92663694

IUPAC2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c(OC)c1OC
InChIInChI=1S/C22H31N3O6S/c1-15-8-9-16(2)18(12-15)25(32(27,28)24(3)4)14-20(26)23-13-17-10-11-19(29-5)22(31-7)21(17)30-6/h8-12H,13-14H2,1-7H3,(H,23,26)
InChIKeyPIABHQGPKXMHDL-UHFFFAOYSA-N
MW465.57 g/mol
LogP2.26
Rot. Bonds10

About 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 92663694) has the molecular formula C22H31N3O6S and a molecular weight of 465.57 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID92663694
Molecular FormulaC22H31N3O6S
Molecular Weight465.57 g/mol
Exact Mass465.19
IUPAC Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c(OC)c1OC
InChIInChI=1S/C22H31N3O6S/c1-15-8-9-16(2)18(12-15)25(32(27,28)24(3)4)14-20(26)23-13-17-10-11-19(29-5)22(31-7)21(17)30-6/h8-12H,13-14H2,1-7H3,(H,23,26)
InChIKeyPIABHQGPKXMHDL-UHFFFAOYSA-N
XLogP2.26
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30229852
N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282051
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186558
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53282002
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30222080
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 92663718
N-(2-tert-butylsulfanylethyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282024
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 132665488
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 53282064
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46771152
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 18890955

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 92663694) is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c(OC)c1OC.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is PIABHQGPKXMHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S/c1-15-8-9-16(2)18(12-15)25(32(27,28)24(3)4)14-20(26)23-13-17-10-11-19(29-5)22(31-7)21(17)30-6/h8-12H,13-14H2,1-7H3,(H,23,26).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 465.57 g/mol, XLogP of 2.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 92663694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).