N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C22H27N5O3S3 — CID 23905429

About N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 23905429) has the molecular formula C22H27N5O3S3 and a molecular weight of 505.69 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 23905429
• Molecular Formula: C22H27N5O3S3
• Molecular Weight: 505.69 g/mol
• Exact Mass: 505.13
• IUPAC Name: N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1
• InChI: InChI=1S/C22H27N5O3S3/c1-5-27(6-2)33(29,30)18-12-10-17(11-13-18)23-20(28)14-31-22-26-25-21(32-22)24-19-9-7-8-15(3)16(19)4/h7-13H,5-6,14H2,1-4H3,(H,23,28)(H,24,25)
• InChIKey: NFQRXRFMWJVTEG-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.69
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 23905429) is N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1.

What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is NFQRXRFMWJVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S3/c1-5-27(6-2)33(29,30)18-12-10-17(11-13-18)23-20(28)14-31-22-26-25-21(32-22)24-19-9-7-8-15(3)16(19)4/h7-13H,5-6,14H2,1-4H3,(H,23,28)(H,24,25).

What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 505.69 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 23905429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).