[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C20H23NO3S — CID 51948049

IUPAC[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C20H23NO3S/c22-20(21-9-2-7-19(21)16-8-11-25-14-16)15-4-1-5-17(12-15)24-13-18-6-3-10-23-18/h1,4-5,8,11-12,14,18-19H,2-3,6-7,9-10,13H2/t18-,19-/m0/s1
InChIKeyPBTRRCLRPDRBNR-OALUTQOASA-N
MW357.47 g/mol
LogP4.28
Rot. Bonds5

About [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51948049) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51948049
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C20H23NO3S/c22-20(21-9-2-7-19(21)16-8-11-25-14-16)15-4-1-5-17(12-15)24-13-18-6-3-10-23-18/h1,4-5,8,11-12,14,18-19H,2-3,6-7,9-10,13H2/t18-,19-/m0/s1
InChIKeyPBTRRCLRPDRBNR-OALUTQOASA-N
XLogP4.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 30470506
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124571660
[3-(methylsulfinylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71941539
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948024
N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722221
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011

Frequently Asked Questions

What is the IUPAC name of [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51948049) is [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is PBTRRCLRPDRBNR-OALUTQOASA-N. The full InChI is InChI=1S/C20H23NO3S/c22-20(21-9-2-7-19(21)16-8-11-25-14-16)15-4-1-5-17(12-15)24-13-18-6-3-10-23-18/h1,4-5,8,11-12,14,18-19H,2-3,6-7,9-10,13H2/t18-,19-/m0/s1.
What are the key properties of [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 357.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51948049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).