2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C21H29N3O4S — CID 46771152

IUPAC2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C
InChIInChI=1S/C21H29N3O4S/c1-16-11-12-17(2)19(13-16)24(29(26,27)22(3)4)15-21(25)23(5)14-18-9-7-8-10-20(18)28-6/h7-13H,14-15H2,1-6H3
InChIKeyGARIQMVWRQVENZ-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.58
Rot. Bonds8

About 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 46771152) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID46771152
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C
InChIInChI=1S/C21H29N3O4S/c1-16-11-12-17(2)19(13-16)24(29(26,27)22(3)4)15-21(25)23(5)14-18-9-7-8-10-20(18)28-6/h7-13H,14-15H2,1-6H3
InChIKeyGARIQMVWRQVENZ-UHFFFAOYSA-N
XLogP2.58
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide
CID 92663790
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 100568377
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92678364
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 28631757
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92673487
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 92663694
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 53282064
N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172216
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 28633355
2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132682766
2-[(2-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-ethylbutanamide
CID 132683437
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46770513

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 46771152) is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is GARIQMVWRQVENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-16-11-12-17(2)19(13-16)24(29(26,27)22(3)4)15-21(25)23(5)14-18-9-7-8-10-20(18)28-6/h7-13H,14-15H2,1-6H3.
What are the key properties of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 419.55 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 46771152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).