(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

C22H30N2O5S — CID 25440303

IUPAC(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1=O
InChIInChI=1S/C22H30N2O5S/c1-2-16-6-3-4-8-20(16)24-13-17(12-21(24)25)22(26)23(14-19-7-5-10-29-19)18-9-11-30(27,28)15-18/h3-4,6,8,17-19H,2,5,7,9-15H2,1H3/t17-,18-,19-/m1/s1
InChIKeyKPUVJYRSLBRSAI-GUDVDZBRSA-N
MW434.56 g/mol
LogP1.80
Rot. Bonds6

About (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 25440303) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID25440303
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1=O
InChIInChI=1S/C22H30N2O5S/c1-2-16-6-3-4-8-20(16)24-13-17(12-21(24)25)22(26)23(14-19-7-5-10-29-19)18-9-11-30(27,28)15-18/h3-4,6,8,17-19H,2,5,7,9-15H2,1H3/t17-,18-,19-/m1/s1
InChIKeyKPUVJYRSLBRSAI-GUDVDZBRSA-N
XLogP1.80
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113186047
1-(2-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191751
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449873
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449872
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 55648628
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(phenoxymethyl)benzamide
CID 41029881
1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 112819886
N-butyl-N-(1,1-dioxothiolan-3-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55507791
2-[benzyl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409905
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409815
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-4-phenoxybenzamide
CID 8019925
2-[1-(2-chlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 78826405

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (CID 25440303) is (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is CCc1ccccc1N1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1=O.
What is the InChIKey of (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is KPUVJYRSLBRSAI-GUDVDZBRSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-2-16-6-3-4-8-20(16)24-13-17(12-21(24)25)22(26)23(14-19-7-5-10-29-19)18-9-11-30(27,28)15-18/h3-4,6,8,17-19H,2,5,7,9-15H2,1H3/t17-,18-,19-/m1/s1.
What are the key properties of (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 25440303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).