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

C19H20N2O2S — CID 7297153

IUPAC[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1Cn1c(C(=O)N2CCCC2)cc2ccsc21
InChIInChI=1S/C19H20N2O2S/c1-23-17-7-3-2-6-15(17)13-21-16(12-14-8-11-24-19(14)21)18(22)20-9-4-5-10-20/h2-3,6-8,11-12H,4-5,9-10,13H2,1H3
InChIKeyRRJYFAFSVJUPCX-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.00
Rot. Bonds4

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

[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 7297153) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID7297153
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1Cn1c(C(=O)N2CCCC2)cc2ccsc21
InChIInChI=1S/C19H20N2O2S/c1-23-17-7-3-2-6-15(17)13-21-16(12-14-8-11-24-19(14)21)18(22)20-9-4-5-10-20/h2-3,6-8,11-12H,4-5,9-10,13H2,1H3
InChIKeyRRJYFAFSVJUPCX-UHFFFAOYSA-N
XLogP4.00
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 93071090
(4-fluorophenyl)-[(2R)-4-[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazin-1-yl]methanone
CID 93117126
[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 7226748
N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797275
1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7260864
ethyl 1-[4-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46039297
N-cyclohexyl-1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 50830813
[3-bromo-4-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 46040549
[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42797249
3-[(2-methoxyphenyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46921701
1-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7249390
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (CID 7297153) is [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1Cn1c(C(=O)N2CCCC2)cc2ccsc21.
What is the InChIKey of [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RRJYFAFSVJUPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-23-17-7-3-2-6-15(17)13-21-16(12-14-8-11-24-19(14)21)18(22)20-9-4-5-10-20/h2-3,6-8,11-12H,4-5,9-10,13H2,1H3.
What are the key properties of [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 340.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 7297153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).