N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide

C23H21ClN2O4S2 — CID 30714093

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 30714093) has the molecular formula C23H21ClN2O4S2 and a molecular weight of 489.02 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

• Compound Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide
• PubChem CID: 30714093
• Molecular Formula: C23H21ClN2O4S2
• Molecular Weight: 489.02 g/mol
• Exact Mass: 488.06
• IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide
• SMILES: Cc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)nc12
• InChI: InChI=1S/C23H21ClN2O4S2/c1-14(2)32(28,29)19-8-6-16(7-9-19)22(27)26(13-18-5-4-10-30-18)23-25-21-15(3)11-17(24)12-20(21)31-23/h4-12,14H,13H2,1-3H3
• InChIKey: RQOWDYLGRFVCTC-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 80.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.02
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide?

The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide (CID 30714093) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide.

What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide?

The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide is Cc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)nc12.

What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide?

The InChIKey is RQOWDYLGRFVCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S2/c1-14(2)32(28,29)19-8-6-16(7-9-19)22(27)26(13-18-5-4-10-30-18)23-25-21-15(3)11-17(24)12-20(21)31-23/h4-12,14H,13H2,1-3H3.

What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide?

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 489.02 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 30714093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).