N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C24H27N3O2S2 — CID 45211592

About N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide

N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 45211592) has the molecular formula C24H27N3O2S2 and a molecular weight of 453.63 g/mol. Its IUPAC name is N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

• Compound Name: N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
• PubChem CID: 45211592
• Molecular Formula: C24H27N3O2S2
• Molecular Weight: 453.63 g/mol
• Exact Mass: 453.15
• IUPAC Name: N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
• SMILES: Cc1ccc(CC2(CCC(=O)N(C)Cc3csc(-c4cccs4)n3)CCC(=O)N2)cc1
• InChI: InChI=1S/C24H27N3O2S2/c1-17-5-7-18(8-6-17)14-24(11-9-21(28)26-24)12-10-22(29)27(2)15-19-16-31-23(25-19)20-4-3-13-30-20/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,26,28)
• InChIKey: CQTRMDGFOYXWEA-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.63
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?

The IUPAC name of N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 45211592) is N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

What is the SMILES notation for N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?

The canonical SMILES for N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide is Cc1ccc(CC2(CCC(=O)N(C)Cc3csc(-c4cccs4)n3)CCC(=O)N2)cc1.

What is the InChIKey of N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?

The InChIKey is CQTRMDGFOYXWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S2/c1-17-5-7-18(8-6-17)14-24(11-9-21(28)26-24)12-10-22(29)27(2)15-19-16-31-23(25-19)20-4-3-13-30-20/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,26,28).

What are the key properties of N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?

N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 453.63 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 45211592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).