(2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide

C24H28F3N3O4S — CID 25056318

About (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide

(2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide (PubChem CID 25056318) has the molecular formula C24H28F3N3O4S and a molecular weight of 511.57 g/mol. Its IUPAC name is (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
• PubChem CID: 25056318
• Molecular Formula: C24H28F3N3O4S
• Molecular Weight: 511.57 g/mol
• Exact Mass: 511.18
• IUPAC Name: (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
• SMILES: CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1
• InChI: InChI=1S/C24H28F3N3O4S/c1-16(2)19-6-10-21(11-7-19)35(33,34)30-13-12-29(17(3)31)15-22(30)23(32)28-14-18-4-8-20(9-5-18)24(25,26)27/h4-11,16,22H,12-15H2,1-3H3,(H,28,32)/t22-/m1/s1
• InChIKey: OAJMSBRSYXIRLC-JOCHJYFZSA-N
• XLogP: 3.37
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.57
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide?

The IUPAC name of (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide (CID 25056318) is (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide.

What is the SMILES notation for (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide?

The canonical SMILES for (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1.

What is the InChIKey of (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide?

The InChIKey is OAJMSBRSYXIRLC-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28F3N3O4S/c1-16(2)19-6-10-21(11-7-19)35(33,34)30-13-12-29(17(3)31)15-22(30)23(32)28-14-18-4-8-20(9-5-18)24(25,26)27/h4-11,16,22H,12-15H2,1-3H3,(H,28,32)/t22-/m1/s1.

What are the key properties of (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide?

(2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide has a molecular weight of 511.57 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 25056318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).