morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone

C20H22N2O2S — CID 7231189

IUPACmorpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
SMILESO=C(c1cc2ccsc2n1CCCc1ccccc1)N1CCOCC1
InChIInChI=1S/C20H22N2O2S/c23-19(21-10-12-24-13-11-21)18-15-17-8-14-25-20(17)22(18)9-4-7-16-5-2-1-3-6-16/h1-3,5-6,8,14-15H,4,7,9-13H2
InChIKeyNMSFVNUKCYQWRP-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.81
Rot. Bonds5

About morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone

morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone (PubChem CID 7231189) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
PubChem CID7231189
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Namemorpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
SMILESO=C(c1cc2ccsc2n1CCCc1ccccc1)N1CCOCC1
InChIInChI=1S/C20H22N2O2S/c23-19(21-10-12-24-13-11-21)18-15-17-8-14-25-20(17)22(18)9-4-7-16-5-2-1-3-6-16/h1-3,5-6,8,14-15H,4,7,9-13H2
InChIKeyNMSFVNUKCYQWRP-UHFFFAOYSA-N
XLogP3.81
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
CID 7261312
[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 7226748
6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7215376
(2R)-2-methyl-N-(2-methylphenyl)-4-[6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carbonyl]piperazine-1-carboxamide
CID 93117173
(2S)-2-methyl-N-(2-methylphenyl)-4-[6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carbonyl]piperazine-1-carboxamide
CID 93117172
6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7215375
2-methyl-4-[6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carbonyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42797434
(4-benzylpiperazin-4-ium-1-yl)-[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]methanone
CID 7328397
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 7297153
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 7288350

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone (CID 7231189) is morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone is O=C(c1cc2ccsc2n1CCCc1ccccc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone?
The InChIKey is NMSFVNUKCYQWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-19(21-10-12-24-13-11-21)18-15-17-8-14-25-20(17)22(18)9-4-7-16-5-2-1-3-6-16/h1-3,5-6,8,14-15H,4,7,9-13H2.
What are the key properties of morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone?
morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone has a molecular weight of 354.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone is sourced from PubChem (CID 7231189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).