N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

C24H26ClN3O3S — CID 40888038

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 40888038) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
• PubChem CID: 40888038
• Molecular Formula: C24H26ClN3O3S
• Molecular Weight: 472.01 g/mol
• Exact Mass: 471.14
• IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
• SMILES: CCN(CC)CCN(C(=O)c1cc2cccc(OC)c2o1)c1nc2c(C)c(Cl)ccc2s1
• InChI: InChI=1S/C24H26ClN3O3S/c1-5-27(6-2)12-13-28(24-26-21-15(3)17(25)10-11-20(21)32-24)23(29)19-14-16-8-7-9-18(30-4)22(16)31-19/h7-11,14H,5-6,12-13H2,1-4H3
• InChIKey: CPBMLXCDJFNJJV-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 58.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.01
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?

The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 40888038) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is CCN(CC)CCN(C(=O)c1cc2cccc(OC)c2o1)c1nc2c(C)c(Cl)ccc2s1.

What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?

The InChIKey is CPBMLXCDJFNJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-5-27(6-2)12-13-28(24-26-21-15(3)17(25)10-11-20(21)32-24)23(29)19-14-16-8-7-9-18(30-4)22(16)31-19/h7-11,14H,5-6,12-13H2,1-4H3.

What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 472.01 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).