(3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

C24H28ClN3O4S — CID 39165993

About (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

(3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 39165993) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
• PubChem CID: 39165993
• Molecular Formula: C24H28ClN3O4S
• Molecular Weight: 490.03 g/mol
• Exact Mass: 489.15
• IUPAC Name: (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
• SMILES: O=C(NCc1ccccc1CN1CCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C24H28ClN3O4S/c25-21-9-11-22(12-10-21)33(31,32)28-14-3-7-20(17-28)24(30)26-15-18-5-1-2-6-19(18)16-27-13-4-8-23(27)29/h1-2,5-6,9-12,20H,3-4,7-8,13-17H2,(H,26,30)/t20-/m1/s1
• InChIKey: ZGXMSYSPKORLFU-HXUWFJFHSA-N
• XLogP: 3.18
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.03
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide (CID 39165993) is (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1CN1CCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.

What is the InChIKey of (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?

The InChIKey is ZGXMSYSPKORLFU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c25-21-9-11-22(12-10-21)33(31,32)28-14-3-7-20(17-28)24(30)26-15-18-5-1-2-6-19(18)16-27-13-4-8-23(27)29/h1-2,5-6,9-12,20H,3-4,7-8,13-17H2,(H,26,30)/t20-/m1/s1.

What are the key properties of (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?

(3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 39165993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).