2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C17H17NOS2 — CID 24645948

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2S1)N1CCCC1c1cccs1
InChIInChI=1S/C17H17NOS2/c19-17(16-11-12-5-1-2-7-14(12)21-16)18-9-3-6-13(18)15-8-4-10-20-15/h1-2,4-5,7-8,10,13,16H,3,6,9,11H2
InChIKeyJWWXDROZQVOHQG-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.13
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 24645948) has the molecular formula C17H17NOS2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID24645948
Molecular FormulaC17H17NOS2
Molecular Weight315.46 g/mol
Exact Mass315.08
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2S1)N1CCCC1c1cccs1
InChIInChI=1S/C17H17NOS2/c19-17(16-11-12-5-1-2-7-14(12)21-16)18-9-3-6-13(18)15-8-4-10-20-15/h1-2,4-5,7-8,10,13,16H,3,6,9,11H2
InChIKeyJWWXDROZQVOHQG-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carbothioamide
CID 79215742
(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66262994
2,3-dihydro-1-benzothiophen-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51318598
methyl (2R)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylate
CID 79835980
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 43415901
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
2-chloro-2-phenyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 60953082
2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone
CID 56811972
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 79388678
(4-hydroxypyrrolidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 54869522

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 24645948) is 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(C1Cc2ccccc2S1)N1CCCC1c1cccs1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is JWWXDROZQVOHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS2/c19-17(16-11-12-5-1-2-7-14(12)21-16)18-9-3-6-13(18)15-8-4-10-20-15/h1-2,4-5,7-8,10,13,16H,3,6,9,11H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 315.46 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 24645948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).