4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

C25H29N3O3S2 — CID 4226551

About 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4226551) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 4226551
• Molecular Formula: C25H29N3O3S2
• Molecular Weight: 483.66 g/mol
• Exact Mass: 483.17
• IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)C1
• InChI: InChI=1S/C25H29N3O3S2/c1-17(2)19-6-8-20(9-7-19)23-16-32-25(26-23)27-24(29)21-10-12-22(13-11-21)33(30,31)28-14-4-5-18(3)15-28/h6-13,16-18H,4-5,14-15H2,1-3H3,(H,26,27,29)
• InChIKey: GFACXVAUYQBAJQ-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.66
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (CID 4226551) is 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)C1.

What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is GFACXVAUYQBAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-17(2)19-6-8-20(9-7-19)23-16-32-25(26-23)27-24(29)21-10-12-22(13-11-21)33(30,31)28-14-4-5-18(3)15-28/h6-13,16-18H,4-5,14-15H2,1-3H3,(H,26,27,29).

What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?

4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 483.66 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4226551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).