4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide

C26H35ClN4O5S2 — CID 43959470

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 43959470) has the molecular formula C26H35ClN4O5S2 and a molecular weight of 583.18 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
• PubChem CID: 43959470
• Molecular Formula: C26H35ClN4O5S2
• Molecular Weight: 583.18 g/mol
• Exact Mass: 582.17
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)c1nc2ccc(Cl)cc2s1
• InChI: InChI=1S/C26H35ClN4O5S2/c1-5-29(6-2)13-14-31(26-28-23-12-9-21(27)19-24(23)37-26)25(32)20-7-10-22(11-8-20)38(33,34)30(15-17-35-3)16-18-36-4/h7-12,19H,5-6,13-18H2,1-4H3
• InChIKey: NCOUKIHQIOBMCC-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 92.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.18
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide (CID 43959470) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide.

What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)c1nc2ccc(Cl)cc2s1.

What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?

The InChIKey is NCOUKIHQIOBMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O5S2/c1-5-29(6-2)13-14-31(26-28-23-12-9-21(27)19-24(23)37-26)25(32)20-7-10-22(11-8-20)38(33,34)30(15-17-35-3)16-18-36-4/h7-12,19H,5-6,13-18H2,1-4H3.

What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?

4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 583.18 g/mol, XLogP of 4.22, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 43959470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).