N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide

C26H27ClN2O3S — CID 4274481

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4274481) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 4274481
• Molecular Formula: C26H27ClN2O3S
• Molecular Weight: 483.03 g/mol
• Exact Mass: 482.14
• IUPAC Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide
• SMILES: O=C(CN(CC1CCCO1)C(=O)c1cccc(Cl)c1)N(Cc1ccccc1)Cc1cccs1
• InChI: InChI=1S/C26H27ClN2O3S/c27-22-10-4-9-21(15-22)26(31)29(17-23-11-5-13-32-23)19-25(30)28(18-24-12-6-14-33-24)16-20-7-2-1-3-8-20/h1-4,6-10,12,14-15,23H,5,11,13,16-19H2
• InChIKey: ANJXRBXZRWYHOO-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.03
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide (CID 4274481) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide is O=C(CN(CC1CCCO1)C(=O)c1cccc(Cl)c1)N(Cc1ccccc1)Cc1cccs1.

What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is ANJXRBXZRWYHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c27-22-10-4-9-21(15-22)26(31)29(17-23-11-5-13-32-23)19-25(30)28(18-24-12-6-14-33-24)16-20-7-2-1-3-8-20/h1-4,6-10,12,14-15,23H,5,11,13,16-19H2.

What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide?

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 483.03 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4274481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).