(2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid

C25H26F3N3O7S2 — CID 53347923

About (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 53347923) has the molecular formula C25H26F3N3O7S2 and a molecular weight of 601.63 g/mol. Its IUPAC name is (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 53347923
• Molecular Formula: C25H26F3N3O7S2
• Molecular Weight: 601.63 g/mol
• Exact Mass: 601.12
• IUPAC Name: (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3OC)n2)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H25N3O5S2.C2HF3O2/c1-30-17-12-10-16(11-13-17)18-15-32-23(24-18)25-22(27)19-7-5-6-14-26(19)33(28,29)21-9-4-3-8-20(21)31-2;3-2(4,5)1(6)7/h3-4,8-13,15,19H,5-7,14H2,1-2H3,(H,24,25,27);(H,6,7)/t19-;/m1./s1
• InChIKey: VLKODACJAMAJGL-FSRHSHDFSA-N
• XLogP: 4.64
• TPSA: 135.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.63
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 53347923) is (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3OC)n2)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is VLKODACJAMAJGL-FSRHSHDFSA-N. The full InChI is InChI=1S/C23H25N3O5S2.C2HF3O2/c1-30-17-12-10-16(11-13-17)18-15-32-23(24-18)25-22(27)19-7-5-6-14-26(19)33(28,29)21-9-4-3-8-20(21)31-2;3-2(4,5)1(6)7/h3-4,8-13,15,19H,5-7,14H2,1-2H3,(H,24,25,27);(H,6,7)/t19-;/m1./s1.

What are the key properties of (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?

(2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 601.63 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53347923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).