N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

C22H25N3O6S3 — CID 3617239

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H25N3O6S3/c1-16-11-12-17(33(27,28)24(2)3)14-18(16)23-21(26)15-25(19-8-5-6-9-20(19)31-4)34(29,30)22-10-7-13-32-22/h5-14H,15H2,1-4H3,(H,23,26)
InChIKeyGEZDSLORTXKAFR-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.15
Rot. Bonds9

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 3617239) has the molecular formula C22H25N3O6S3 and a molecular weight of 523.66 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID3617239
Molecular FormulaC22H25N3O6S3
Molecular Weight523.66 g/mol
Exact Mass523.09
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H25N3O6S3/c1-16-11-12-17(33(27,28)24(2)3)14-18(16)23-21(26)15-25(19-8-5-6-9-20(19)31-4)34(29,30)22-10-7-13-32-22/h5-14H,15H2,1-4H3,(H,23,26)
InChIKeyGEZDSLORTXKAFR-UHFFFAOYSA-N
XLogP3.15
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (CID 3617239) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is GEZDSLORTXKAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S3/c1-16-11-12-17(33(27,28)24(2)3)14-18(16)23-21(26)15-25(19-8-5-6-9-20(19)31-4)34(29,30)22-10-7-13-32-22/h5-14H,15H2,1-4H3,(H,23,26).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 523.66 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 3617239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).