4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C24H27ClN4O3S2 — CID 10229722

About 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 10229722) has the molecular formula C24H27ClN4O3S2 and a molecular weight of 519.09 g/mol. Its IUPAC name is 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
• PubChem CID: 10229722
• Molecular Formula: C24H27ClN4O3S2
• Molecular Weight: 519.09 g/mol
• Exact Mass: 518.12
• IUPAC Name: 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
• SMILES: O=C(NCc1ccc(S(=O)(=O)N2CCC(NCCc3ccccn3)CC2)s1)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H27ClN4O3S2/c25-19-6-4-18(5-7-19)24(30)28-17-22-8-9-23(33-22)34(31,32)29-15-11-21(12-16-29)27-14-10-20-3-1-2-13-26-20/h1-9,13,21,27H,10-12,14-17H2,(H,28,30)
• InChIKey: RGPOBKHHKYZHGO-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.09
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?

The IUPAC name of 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 10229722) is 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

What is the SMILES notation for 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?

The canonical SMILES for 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCC(NCCc3ccccn3)CC2)s1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?

The InChIKey is RGPOBKHHKYZHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S2/c25-19-6-4-18(5-7-19)24(30)28-17-22-8-9-23(33-22)34(31,32)29-15-11-21(12-16-29)27-14-10-20-3-1-2-13-26-20/h1-9,13,21,27H,10-12,14-17H2,(H,28,30).

What are the key properties of 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?

4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 519.09 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 10229722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).