[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate

C19H21NO4S — CID 31939256

IUPAC[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCC[C@H]2c2cccs2)cc1
InChIInChI=1S/C19H21NO4S/c1-23-15-8-6-14(7-9-15)12-19(22)24-13-18(21)20-10-2-4-16(20)17-5-3-11-25-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3/t16-/m0/s1
InChIKeyBVRQBRLXXVXDBB-INIZCTEOSA-N
MW359.45 g/mol
LogP3.21
Rot. Bonds6

About [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate

[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 31939256) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate
PubChem CID31939256
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCC[C@H]2c2cccs2)cc1
InChIInChI=1S/C19H21NO4S/c1-23-15-8-6-14(7-9-15)12-19(22)24-13-18(21)20-10-2-4-16(20)17-5-3-11-25-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3/t16-/m0/s1
InChIKeyBVRQBRLXXVXDBB-INIZCTEOSA-N
XLogP3.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 4-(methoxymethyl)benzoate
CID 47007738
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 55371296
1-(2-thiophen-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55738650
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3,5-dimethoxy-4-methylbenzoate
CID 55371431
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate
CID 55371486
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(2-chlorophenoxy)acetate
CID 55371401
[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847120
[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847124

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate (CID 31939256) is [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N2CCC[C@H]2c2cccs2)cc1.
What is the InChIKey of [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is BVRQBRLXXVXDBB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-23-15-8-6-14(7-9-15)12-19(22)24-13-18(21)20-10-2-4-16(20)17-5-3-11-25-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate?
[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 359.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 31939256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).