N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide

C25H30ClN3O5S — CID 93200713

About N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide

N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide (PubChem CID 93200713) has the molecular formula C25H30ClN3O5S and a molecular weight of 520.05 g/mol. Its IUPAC name is N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
• PubChem CID: 93200713
• Molecular Formula: C25H30ClN3O5S
• Molecular Weight: 520.05 g/mol
• Exact Mass: 519.16
• IUPAC Name: N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
• InChI: InChI=1S/C25H30ClN3O5S/c1-18-3-2-4-20(17-18)24(30)27-23(25(31)28-13-15-34-16-14-28)19-9-11-29(12-10-19)35(32,33)22-7-5-21(26)6-8-22/h2-8,17,19,23H,9-16H2,1H3,(H,27,30)/t23-/m1/s1
• InChIKey: GXHBDRGTHPETQP-HSZRJFAPSA-N
• XLogP: 2.71
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.05
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide?

The IUPAC name of N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide (CID 93200713) is N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide.

What is the SMILES notation for N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide?

The canonical SMILES for N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1.

What is the InChIKey of N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide?

The InChIKey is GXHBDRGTHPETQP-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30ClN3O5S/c1-18-3-2-4-20(17-18)24(30)27-23(25(31)28-13-15-34-16-14-28)19-9-11-29(12-10-19)35(32,33)22-7-5-21(26)6-8-22/h2-8,17,19,23H,9-16H2,1H3,(H,27,30)/t23-/m1/s1.

What are the key properties of N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide?

N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide has a molecular weight of 520.05 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 93200713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).