N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide

C23H26N4O2S — CID 37215568

About N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 37215568) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide
• PubChem CID: 37215568
• Molecular Formula: C23H26N4O2S
• Molecular Weight: 422.55 g/mol
• Exact Mass: 422.18
• IUPAC Name: N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide
• SMILES: CNC(=O)c1ccc(CN(C)CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1
• InChI: InChI=1S/C23H26N4O2S/c1-16-5-4-6-18(11-16)12-20-13-25-23(30-20)26-21(28)15-27(3)14-17-7-9-19(10-8-17)22(29)24-2/h4-11,13H,12,14-15H2,1-3H3,(H,24,29)(H,25,26,28)
• InChIKey: ZXYMPMQEXQIKAD-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.55
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide?

The IUPAC name of N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide (CID 37215568) is N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide.

What is the SMILES notation for N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide?

The canonical SMILES for N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1.

What is the InChIKey of N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide?

The InChIKey is ZXYMPMQEXQIKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-5-4-6-18(11-16)12-20-13-25-23(30-20)26-21(28)15-27(3)14-17-7-9-19(10-8-17)22(29)24-2/h4-11,13H,12,14-15H2,1-3H3,(H,24,29)(H,25,26,28).

What are the key properties of N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide?

N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 37215568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).