3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

C19H25N3O3S — CID 5009561

About 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 5009561) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
• PubChem CID: 5009561
• Molecular Formula: C19H25N3O3S
• Molecular Weight: 375.49 g/mol
• Exact Mass: 375.16
• IUPAC Name: 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
• SMILES: COc1cccc(C(=O)N(CCC(C)C)CC(=O)Nc2nc(C)cs2)c1
• InChI: InChI=1S/C19H25N3O3S/c1-13(2)8-9-22(11-17(23)21-19-20-14(3)12-26-19)18(24)15-6-5-7-16(10-15)25-4/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,20,21,23)
• InChIKey: RMHZEDWHWCZJBC-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.49
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?

The IUPAC name of 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 5009561) is 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?

The canonical SMILES for 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is COc1cccc(C(=O)N(CCC(C)C)CC(=O)Nc2nc(C)cs2)c1.

What is the InChIKey of 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?

The InChIKey is RMHZEDWHWCZJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13(2)8-9-22(11-17(23)21-19-20-14(3)12-26-19)18(24)15-6-5-7-16(10-15)25-4/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,20,21,23).

What are the key properties of 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?

3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 5009561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).