4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C26H33N3O4S2 — CID 43984319

About 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984319) has the molecular formula C26H33N3O4S2 and a molecular weight of 515.70 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 43984319
• Molecular Formula: C26H33N3O4S2
• Molecular Weight: 515.70 g/mol
• Exact Mass: 515.19
• IUPAC Name: 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)CC3CCCO3)cc2)sc2cc(C(C)C)ccc21
• InChI: InChI=1S/C26H33N3O4S2/c1-5-14-29-23-13-10-20(18(2)3)16-24(23)34-26(29)27-25(30)19-8-11-22(12-9-19)35(31,32)28(4)17-21-7-6-15-33-21/h8-13,16,18,21H,5-7,14-15,17H2,1-4H3/b27-26-
• InChIKey: HNEOOBRNMMUQNE-RQZHXJHFSA-N
• XLogP: 4.78
• TPSA: 80.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.70
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984319) is 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)CC3CCCO3)cc2)sc2cc(C(C)C)ccc21.

What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The InChIKey is HNEOOBRNMMUQNE-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H33N3O4S2/c1-5-14-29-23-13-10-20(18(2)3)16-24(23)34-26(29)27-25(30)19-8-11-22(12-9-19)35(31,32)28(4)17-21-7-6-15-33-21/h8-13,16,18,21H,5-7,14-15,17H2,1-4H3/b27-26-.

What are the key properties of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 515.70 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).