2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

C20H23NO4S — CID 70766776

IUPAC2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(OC)c(C2CCN(C(=O)Cc3csc(C(C)=O)c3)C2)c1
InChIInChI=1S/C20H23NO4S/c1-13(22)19-8-14(12-26-19)9-20(23)21-7-6-15(11-21)17-10-16(24-2)4-5-18(17)25-3/h4-5,8,10,12,15H,6-7,9,11H2,1-3H3
InChIKeyRSOACDNTWOUGIZ-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.53
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 70766776) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID70766776
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(OC)c(C2CCN(C(=O)Cc3csc(C(C)=O)c3)C2)c1
InChIInChI=1S/C20H23NO4S/c1-13(22)19-8-14(12-26-19)9-20(23)21-7-6-15(11-21)17-10-16(24-2)4-5-18(17)25-3/h4-5,8,10,12,15H,6-7,9,11H2,1-3H3
InChIKeyRSOACDNTWOUGIZ-UHFFFAOYSA-N
XLogP3.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70750807
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 70712972
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 70785020
2-(5-acetylthiophen-3-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72896877
2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 125178703
1-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 97144470
[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125174451
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70780899
1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70783790
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 70741338
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744213

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone (CID 70766776) is 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone is COc1ccc(OC)c(C2CCN(C(=O)Cc3csc(C(C)=O)c3)C2)c1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is RSOACDNTWOUGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-13(22)19-8-14(12-26-19)9-20(23)21-7-6-15(11-21)17-10-16(24-2)4-5-18(17)25-3/h4-5,8,10,12,15H,6-7,9,11H2,1-3H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone?
2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 373.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 70766776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).