N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide

C26H36N4O5S2 — CID 43959152

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 43959152) has the molecular formula C26H36N4O5S2 and a molecular weight of 548.73 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

• Compound Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide
• PubChem CID: 43959152
• Molecular Formula: C26H36N4O5S2
• Molecular Weight: 548.73 g/mol
• Exact Mass: 548.21
• IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide
• SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(OC)ccc(OC)c3s2)cc1
• InChI: InChI=1S/C26H36N4O5S2/c1-7-15-29(16-8-2)37(32,33)20-11-9-19(10-12-20)25(31)30(18-17-28(3)4)26-27-23-21(34-5)13-14-22(35-6)24(23)36-26/h9-14H,7-8,15-18H2,1-6H3
• InChIKey: SVZPGGRWMUDCSA-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 92.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.73
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide?

The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide (CID 43959152) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide.

What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide?

The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(OC)ccc(OC)c3s2)cc1.

What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide?

The InChIKey is SVZPGGRWMUDCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5S2/c1-7-15-29(16-8-2)37(32,33)20-11-9-19(10-12-20)25(31)30(18-17-28(3)4)26-27-23-21(34-5)13-14-22(35-6)24(23)36-26/h9-14H,7-8,15-18H2,1-6H3.

What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide?

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 548.73 g/mol, XLogP of 4.33, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 43959152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).