2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide

C22H30ClN3O6S — CID 58677244

About 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide

2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide (PubChem CID 58677244) has the molecular formula C22H30ClN3O6S and a molecular weight of 500.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
• PubChem CID: 58677244
• Molecular Formula: C22H30ClN3O6S
• Molecular Weight: 500.02 g/mol
• Exact Mass: 499.15
• IUPAC Name: 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
• SMILES: CC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(=O)c2ccc(Cl)cc2)C1=O
• InChI: InChI=1S/C22H30ClN3O6S/c1-3-15(2)20(22(29)25-10-12-32-13-11-25)26-9-8-18(21(26)28)24-33(30,31)14-19(27)16-4-6-17(23)7-5-16/h4-7,15,18,20,24H,3,8-14H2,1-2H3/t15-,18-,20-/m0/s1
• InChIKey: CWGDNTRPHPCXNV-QSFXBCCZSA-N
• XLogP: 1.32
• TPSA: 113.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.02
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide (CID 58677244) is 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide is CC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(=O)c2ccc(Cl)cc2)C1=O.

What is the InChIKey of 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide?

The InChIKey is CWGDNTRPHPCXNV-QSFXBCCZSA-N. The full InChI is InChI=1S/C22H30ClN3O6S/c1-3-15(2)20(22(29)25-10-12-32-13-11-25)26-9-8-18(21(26)28)24-33(30,31)14-19(27)16-4-6-17(23)7-5-16/h4-7,15,18,20,24H,3,8-14H2,1-2H3/t15-,18-,20-/m0/s1.

What are the key properties of 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide?

2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide has a molecular weight of 500.02 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide is sourced from PubChem (CID 58677244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).