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

C27H37ClN4O5S2 — CID 43963169

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 43963169) has the molecular formula C27H37ClN4O5S2 and a molecular weight of 597.20 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
• PubChem CID: 43963169
• Molecular Formula: C27H37ClN4O5S2
• Molecular Weight: 597.20 g/mol
• Exact Mass: 596.19
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)c1nc2c(C)cc(Cl)cc2s1
• InChI: InChI=1S/C27H37ClN4O5S2/c1-6-30(7-2)12-13-32(27-29-25-20(3)18-22(28)19-24(25)38-27)26(33)21-8-10-23(11-9-21)39(34,35)31(14-16-36-4)15-17-37-5/h8-11,18-19H,6-7,12-17H2,1-5H3
• InChIKey: RYNWNQXKECJEBV-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 92.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.20
LogP ≤ 5	4.53
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-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide (CID 43963169) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide.

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

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)c1nc2c(C)cc(Cl)cc2s1.

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

The InChIKey is RYNWNQXKECJEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN4O5S2/c1-6-30(7-2)12-13-32(27-29-25-20(3)18-22(28)19-24(25)38-27)26(33)21-8-10-23(11-9-21)39(34,35)31(14-16-36-4)15-17-37-5/h8-11,18-19H,6-7,12-17H2,1-5H3.

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 597.20 g/mol, XLogP of 4.53, 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-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 43963169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).