N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide

C27H28F2N2O2S — CID 4525684

About N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide

N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 4525684) has the molecular formula C27H28F2N2O2S and a molecular weight of 482.60 g/mol. Its IUPAC name is N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
• PubChem CID: 4525684
• Molecular Formula: C27H28F2N2O2S
• Molecular Weight: 482.60 g/mol
• Exact Mass: 482.18
• IUPAC Name: N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
• SMILES: O=C(CN(C(=O)c1cccc(F)c1)C1CCCCC1)N(Cc1ccc(F)cc1)Cc1cccs1
• InChI: InChI=1S/C27H28F2N2O2S/c28-22-13-11-20(12-14-22)17-30(18-25-10-5-15-34-25)26(32)19-31(24-8-2-1-3-9-24)27(33)21-6-4-7-23(29)16-21/h4-7,10-16,24H,1-3,8-9,17-19H2
• InChIKey: PJUPUVHDURUKJM-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.60
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?

The IUPAC name of N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 4525684) is N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide is O=C(CN(C(=O)c1cccc(F)c1)C1CCCCC1)N(Cc1ccc(F)cc1)Cc1cccs1.

What is the InChIKey of N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?

The InChIKey is PJUPUVHDURUKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O2S/c28-22-13-11-20(12-14-22)17-30(18-25-10-5-15-34-25)26(32)19-31(24-8-2-1-3-9-24)27(33)21-6-4-7-23(29)16-21/h4-7,10-16,24H,1-3,8-9,17-19H2.

What are the key properties of N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?

N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 482.60 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4525684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).