N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide

C24H24N2O4S2 — CID 30710535

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide (PubChem CID 30710535) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide.

Molecular Properties

• Compound Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide
• PubChem CID: 30710535
• Molecular Formula: C24H24N2O4S2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.12
• IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide
• SMILES: Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc12
• InChI: InChI=1S/C24H24N2O4S2/c1-15(2)32(28,29)20-9-5-7-18(13-20)23(27)26(14-19-8-6-12-30-19)24-25-21-16(3)10-11-17(4)22(21)31-24/h5-13,15H,14H2,1-4H3
• InChIKey: NSGNRWVXJMSIKK-UHFFFAOYSA-N
• XLogP: 5.54
• 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	468.60
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide?

The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide (CID 30710535) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide.

What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide?

The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide is Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc12.

What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide?

The InChIKey is NSGNRWVXJMSIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-15(2)32(28,29)20-9-5-7-18(13-20)23(27)26(14-19-8-6-12-30-19)24-25-21-16(3)10-11-17(4)22(21)31-24/h5-13,15H,14H2,1-4H3.

What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide?

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide has a molecular weight of 468.60 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 30710535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).