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

C24H30N2O5S — CID 118287741

IUPACN-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide
SMILESCCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCNS(C)(=O)=O
InChIInChI=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
InChIKeyGGOOLMZOKBOQNG-QHCPKHFHSA-N
MW458.58 g/mol
LogP3.24
Rot. Bonds10

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 NameN-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide
PubChem CID118287741
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC NameN-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide
SMILESCCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCNS(C)(=O)=O
InChIInChI=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
InChIKeyGGOOLMZOKBOQNG-QHCPKHFHSA-N
XLogP3.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).