N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C23H29N3O4S — CID 41344895

About N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41344895) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 41344895
• Molecular Formula: C23H29N3O4S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.19
• IUPAC Name: N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• SMILES: CCN(CC)CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc2ccc(OC)cc2s1
• InChI: InChI=1S/C23H29N3O4S/c1-6-25(7-2)10-11-26(22(27)16-12-18(29-4)14-19(13-16)30-5)23-24-20-9-8-17(28-3)15-21(20)31-23/h8-9,12-15H,6-7,10-11H2,1-5H3
• InChIKey: UBLXTZWQQVPTHK-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 41344895) is N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is CCN(CC)CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc2ccc(OC)cc2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is UBLXTZWQQVPTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-6-25(7-2)10-11-26(22(27)16-12-18(29-4)14-19(13-16)30-5)23-24-20-9-8-17(28-3)15-21(20)31-23/h8-9,12-15H,6-7,10-11H2,1-5H3.

What are the key properties of N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41344895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).