N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

C19H25N3O4S — CID 3663835

About N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 3663835) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
• PubChem CID: 3663835
• Molecular Formula: C19H25N3O4S
• Molecular Weight: 391.49 g/mol
• Exact Mass: 391.16
• IUPAC Name: N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
• SMILES: CCCCN(CC(=O)Nc1ncc(C)s1)C(=O)c1c(OC)cccc1OC
• InChI: InChI=1S/C19H25N3O4S/c1-5-6-10-22(12-16(23)21-19-20-11-13(2)27-19)18(24)17-14(25-3)8-7-9-15(17)26-4/h7-9,11H,5-6,10,12H2,1-4H3,(H,20,21,23)
• InChIKey: XURCVIDWZXKBBP-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.49
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?

The IUPAC name of N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 3663835) is N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is CCCCN(CC(=O)Nc1ncc(C)s1)C(=O)c1c(OC)cccc1OC.

What is the InChIKey of N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?

The InChIKey is XURCVIDWZXKBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-5-6-10-22(12-16(23)21-19-20-11-13(2)27-19)18(24)17-14(25-3)8-7-9-15(17)26-4/h7-9,11H,5-6,10,12H2,1-4H3,(H,20,21,23).

What are the key properties of N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?

N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 391.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3663835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).