[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone

C24H24N2O2S — CID 53358257

IUPAC[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)c2cccc3ccccc23)c2ccsc2n1CCN1CCOCC1
InChIInChI=1S/C24H24N2O2S/c1-17-22(23(27)20-8-4-6-18-5-2-3-7-19(18)20)21-9-16-29-24(21)26(17)11-10-25-12-14-28-15-13-25/h2-9,16H,10-15H2,1H3
InChIKeyMQKPSTOUVFYOFH-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.73
Rot. Bonds5

About [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone

[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone (PubChem CID 53358257) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone
PubChem CID53358257
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)c2cccc3ccccc23)c2ccsc2n1CCN1CCOCC1
InChIInChI=1S/C24H24N2O2S/c1-17-22(23(27)20-8-4-6-18-5-2-3-7-19(18)20)21-9-16-29-24(21)26(17)11-10-25-12-14-28-15-13-25/h2-9,16H,10-15H2,1H3
InChIKeyMQKPSTOUVFYOFH-UHFFFAOYSA-N
XLogP4.73
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone (CID 53358257) is [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone is Cc1c(C(=O)c2cccc3ccccc23)c2ccsc2n1CCN1CCOCC1.
What is the InChIKey of [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone?
The InChIKey is MQKPSTOUVFYOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-17-22(23(27)20-8-4-6-18-5-2-3-7-19(18)20)21-9-16-29-24(21)26(17)11-10-25-12-14-28-15-13-25/h2-9,16H,10-15H2,1H3.
What are the key properties of [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone?
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone has a molecular weight of 404.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 53358257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).