N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide

C26H37N3O3S — CID 3442164

About N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 3442164) has the molecular formula C26H37N3O3S and a molecular weight of 471.67 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide
• PubChem CID: 3442164
• Molecular Formula: C26H37N3O3S
• Molecular Weight: 471.67 g/mol
• Exact Mass: 471.26
• IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide
• SMILES: CCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1
• InChI: InChI=1S/C26H37N3O3S/c1-3-4-10-25(30)28(14-13-27-15-17-32-18-16-27)21-26(31)29(19-23-8-6-5-7-9-23)20-24-12-11-22(2)33-24/h5-9,11-12H,3-4,10,13-21H2,1-2H3
• InChIKey: NMXWFNUJIFZRTI-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 53.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.67
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide?

The IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide (CID 3442164) is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide.

What is the SMILES notation for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide?

The canonical SMILES for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide is CCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1.

What is the InChIKey of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide?

The InChIKey is NMXWFNUJIFZRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3S/c1-3-4-10-25(30)28(14-13-27-15-17-32-18-16-27)21-26(31)29(19-23-8-6-5-7-9-23)20-24-12-11-22(2)33-24/h5-9,11-12H,3-4,10,13-21H2,1-2H3.

What are the key properties of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide?

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 471.67 g/mol, XLogP of 3.94, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 3442164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).