[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

C19H20N2OS — CID 42797249

IUPAC[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(c1ccccc1)n1c(C(=O)N2CCCC2)cc2ccsc21
InChIInChI=1S/C19H20N2OS/c1-14(15-7-3-2-4-8-15)21-17(13-16-9-12-23-19(16)21)18(22)20-10-5-6-11-20/h2-4,7-9,12-14H,5-6,10-11H2,1H3
InChIKeyDGFBJYFYMKULMZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.55
Rot. Bonds3

About [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42797249) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID42797249
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(c1ccccc1)n1c(C(=O)N2CCCC2)cc2ccsc21
InChIInChI=1S/C19H20N2OS/c1-14(15-7-3-2-4-8-15)21-17(13-16-9-12-23-19(16)21)18(22)20-10-5-6-11-20/h2-4,7-9,12-14H,5-6,10-11H2,1H3
InChIKeyDGFBJYFYMKULMZ-UHFFFAOYSA-N
XLogP4.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7216984
2,2-dimethyl-1-[(2R)-2-methyl-4-[6-[(1R)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperazin-1-yl]propan-1-one
CID 93117088
N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 42797250
[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 92987278
6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7306888
(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 164547017
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
azepan-1-yl-[1-[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]piperidin-4-yl]methanone
CID 78871336
ethyl (3R)-1-[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 92987285
(4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
CID 7261312
morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
CID 7231189
(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone
CID 146604568

Frequently Asked Questions

What is the IUPAC name of [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (CID 42797249) is [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is CC(c1ccccc1)n1c(C(=O)N2CCCC2)cc2ccsc21.
What is the InChIKey of [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DGFBJYFYMKULMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-14(15-7-3-2-4-8-15)21-17(13-16-9-12-23-19(16)21)18(22)20-10-5-6-11-20/h2-4,7-9,12-14H,5-6,10-11H2,1H3.
What are the key properties of [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 324.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42797249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).