4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C25H30N4O3S2 — CID 157330587

About 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157330587) has the molecular formula C25H30N4O3S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157330587
• Molecular Formula: C25H30N4O3S2
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.18
• IUPAC Name: 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: C[C@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccccc21.[H][H].[H][H]
• InChI: InChI=1S/C25H26N4O3S2.2H2/c1-18(29-16-12-21-4-2-3-5-23(21)29)24(30)28-14-10-20(11-15-28)19-6-8-22(9-7-19)34(31,32)27-25-26-13-17-33-25;;/h2-9,12-13,16-18,20H,10-11,14-15H2,1H3,(H,26,27);2*1H/t18-;;/m1../s1
• InChIKey: BFFVXDHHJNNLDY-JPKZNVRTSA-N
• XLogP: 5.36
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 157330587) is 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is C[C@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccccc21.[H][H].[H][H].

What is the InChIKey of 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is BFFVXDHHJNNLDY-JPKZNVRTSA-N. The full InChI is InChI=1S/C25H26N4O3S2.2H2/c1-18(29-16-12-21-4-2-3-5-23(21)29)24(30)28-14-10-20(11-15-28)19-6-8-22(9-7-19)34(31,32)27-25-26-13-17-33-25;;/h2-9,12-13,16-18,20H,10-11,14-15H2,1H3,(H,26,27);2*1H/t18-;;/m1../s1.

What are the key properties of 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 498.67 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157330587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).