benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide

C34H34F6N4O5S2 — CID 160839298

About benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide

benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide (PubChem CID 160839298) has the molecular formula C34H34F6N4O5S2 and a molecular weight of 756.79 g/mol. Its IUPAC name is benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
• PubChem CID: 160839298
• Molecular Formula: C34H34F6N4O5S2
• Molecular Weight: 756.79 g/mol
• Exact Mass: 756.19
• IUPAC Name: benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)s2)c1.NC(=O)c1ccccc1
• InChI: InChI=1S/C27H27F6N3O4S2.C7H7NO/c1-40-22-4-2-3-18(13-22)25(37)35-16-23-5-6-24(41-23)42(38,39)36-9-7-21(8-10-36)34-15-17-11-19(26(28,29)30)14-20(12-17)27(31,32)33;8-7(9)6-4-2-1-3-5-6/h2-6,11-14,21,34H,7-10,15-16H2,1H3,(H,35,37);1-5H,(H2,8,9)
• InChIKey: SHUWWJXBRLZGCK-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 130.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.79
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide?

The IUPAC name of benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide (CID 160839298) is benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide.

What is the SMILES notation for benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide?

The canonical SMILES for benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)s2)c1.NC(=O)c1ccccc1.

What is the InChIKey of benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide?

The InChIKey is SHUWWJXBRLZGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F6N3O4S2.C7H7NO/c1-40-22-4-2-3-18(13-22)25(37)35-16-23-5-6-24(41-23)42(38,39)36-9-7-21(8-10-36)34-15-17-11-19(26(28,29)30)14-20(12-17)27(31,32)33;8-7(9)6-4-2-1-3-5-6/h2-6,11-14,21,34H,7-10,15-16H2,1H3,(H,35,37);1-5H,(H2,8,9).

What are the key properties of benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide?

benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide has a molecular weight of 756.79 g/mol, XLogP of 6.45, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 160839298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).