[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C23H24N2O2S — CID 71895409

IUPAC[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccsc2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C23H24N2O2S/c1-16-11-20(12-17(2)22(16)27-14-18-5-3-8-24-13-18)23(26)25-9-4-6-21(25)19-7-10-28-15-19/h3,5,7-8,10-13,15,21H,4,6,9,14H2,1-2H3
InChIKeyOAWMIUPRZNUDNK-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.32
Rot. Bonds5

About [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 71895409) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID71895409
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccsc2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C23H24N2O2S/c1-16-11-20(12-17(2)22(16)27-14-18-5-3-8-24-13-18)23(26)25-9-4-6-21(25)19-7-10-28-15-19/h3,5,7-8,10-13,15,21H,4,6,9,14H2,1-2H3
InChIKeyOAWMIUPRZNUDNK-UHFFFAOYSA-N
XLogP5.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124696407
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553984
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 39717853
4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 120521755
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 39688623
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112823978
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 43060389
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949199
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 71895409) is [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC2c2ccsc2)cc(C)c1OCc1cccnc1.
What is the InChIKey of [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is OAWMIUPRZNUDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-16-11-20(12-17(2)22(16)27-14-18-5-3-8-24-13-18)23(26)25-9-4-6-21(25)19-7-10-28-15-19/h3,5,7-8,10-13,15,21H,4,6,9,14H2,1-2H3.
What are the key properties of [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 392.52 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 71895409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).