2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C24H25F3N2O6 — CID 68682375

IUPAC2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc1OC1CCCO1
InChIInChI=1S/C24H25F3N2O6/c1-32-19-9-4-15(11-20(19)34-23-3-2-10-33-23)16-12-22(31)29(13-16)14-21(30)28-17-5-7-18(8-6-17)35-24(25,26)27/h4-9,11,16,23H,2-3,10,12-14H2,1H3,(H,28,30)/t16-,23?/m1/s1
InChIKeyZQCRGPFUNXQASZ-ADRQNKRLSA-N
MW494.47 g/mol
LogP4.06
Rot. Bonds8

About 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 68682375) has the molecular formula C24H25F3N2O6 and a molecular weight of 494.47 g/mol. Its IUPAC name is 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID68682375
Molecular FormulaC24H25F3N2O6
Molecular Weight494.47 g/mol
Exact Mass494.17
IUPAC Name2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc1OC1CCCO1
InChIInChI=1S/C24H25F3N2O6/c1-32-19-9-4-15(11-20(19)34-23-3-2-10-33-23)16-12-22(31)29(13-16)14-21(30)28-17-5-7-18(8-6-17)35-24(25,26)27/h4-9,11,16,23H,2-3,10,12-14H2,1H3,(H,28,30)/t16-,23?/m1/s1
InChIKeyZQCRGPFUNXQASZ-ADRQNKRLSA-N
XLogP4.06
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide
CID 69370077
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 87540190
tert-butyl 2-fluoro-4-[[2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetyl]amino]benzoate
CID 68683502
N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 68685087
ethyl 2-[[2-[4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate
CID 87888680
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 68684485
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide
CID 91099332
N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 87673410
N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 11476245
N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 68682136
4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 69348807
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 68682375) is 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc1OC1CCCO1.
What is the InChIKey of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is ZQCRGPFUNXQASZ-ADRQNKRLSA-N. The full InChI is InChI=1S/C24H25F3N2O6/c1-32-19-9-4-15(11-20(19)34-23-3-2-10-33-23)16-12-22(31)29(13-16)14-21(30)28-17-5-7-18(8-6-17)35-24(25,26)27/h4-9,11,16,23H,2-3,10,12-14H2,1H3,(H,28,30)/t16-,23?/m1/s1.
What are the key properties of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 494.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 68682375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).