N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide

C27H29FN2O3S — CID 5011647

About N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 5011647) has the molecular formula C27H29FN2O3S and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 5011647
• Molecular Formula: C27H29FN2O3S
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.19
• IUPAC Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
• SMILES: Cc1ccccc1C(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)CC1CCCO1
• InChI: InChI=1S/C27H29FN2O3S/c1-20-6-2-3-9-25(20)27(32)30(17-23-7-4-14-33-23)19-26(31)29(18-24-8-5-15-34-24)16-21-10-12-22(28)13-11-21/h2-3,5-6,8-13,15,23H,4,7,14,16-19H2,1H3
• InChIKey: FQIMHYQEWMGCOG-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 5011647) is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1ccccc1C(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)CC1CCCO1.

What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is FQIMHYQEWMGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3S/c1-20-6-2-3-9-25(20)27(32)30(17-23-7-4-14-33-23)19-26(31)29(18-24-8-5-15-34-24)16-21-10-12-22(28)13-11-21/h2-3,5-6,8-13,15,23H,4,7,14,16-19H2,1H3.

What are the key properties of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 480.61 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 5011647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).