2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide

C18H23N3O6S2 — CID 30261797

IUPAC2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O6S2/c1-20(2)29(25,26)15-11-9-14(10-12-15)21(28(4,23)24)13-18(22)19-16-7-5-6-8-17(16)27-3/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyMYLJUILAXKPXIN-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.35
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide (PubChem CID 30261797) has the molecular formula C18H23N3O6S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide
PubChem CID30261797
Molecular FormulaC18H23N3O6S2
Molecular Weight441.53 g/mol
Exact Mass441.10
IUPAC Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O6S2/c1-20(2)29(25,26)15-11-9-14(10-12-15)21(28(4,23)24)13-18(22)19-16-7-5-6-8-17(16)27-3/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyMYLJUILAXKPXIN-UHFFFAOYSA-N
XLogP1.35
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
N-(2-methoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 113154354
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 30271390
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-propylbenzamide
CID 30271239
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 53280206
N-butyl-2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzamide
CID 30271289
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 30276090
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate
CID 30272715
N-(2-methoxyphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide (CID 30261797) is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is MYLJUILAXKPXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S2/c1-20(2)29(25,26)15-11-9-14(10-12-15)21(28(4,23)24)13-18(22)19-16-7-5-6-8-17(16)27-3/h5-12H,13H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide?
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 30261797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).