N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide

C₂₄H₃₀N₂O₅S — CID 118287741

About N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide

N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide (PubChem CID 118287741) has the molecular formula C₂₄H₃₀N₂O₅S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide
• PubChem CID: 118287741
• Molecular Formula: C₂₄H₃₀N₂O₅S
• Molecular Weight: 458.58 g/mol
• Exact Mass: 458.19
• IUPAC Name: N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide
• SMILES: CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCNS(C)(=O)=O
• InChI: InChI=1S/C24H30N2O5S/c1-3-17-16-20(8-11-22(17)30-15-13-25-32(2,28)29)26-14-12-23(24(26)27)31-21-9-6-19(7-10-21)18-4-5-18/h6-11,16,18,23,25H,3-5,12-15H2,1-2H3/t23-/m0/s1
• InChIKey: GGOOLMZOKBOQNG-QHCPKHFHSA-N
• XLogP: 3.24
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.58
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide (CID 118287741) is N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide is CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCNS(C)(=O)=O.

What is the InChIKey of N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide?

The InChIKey is GGOOLMZOKBOQNG-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-3-17-16-20(8-11-22(17)30-15-13-25-32(2,28)29)26-14-12-23(24(26)27)31-21-9-6-19(7-10-21)18-4-5-18/h6-11,16,18,23,25H,3-5,12-15H2,1-2H3/t23-/m0/s1.

What are the key properties of N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide?

N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide has a molecular weight of 458.58 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 118287741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118287741 — identifiers, structure, computed properties (public domain)

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