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

C19H20N2O2S — CID 7226748

IUPAC[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1Cn1c(C(=O)N2CCOCC2)cc2ccsc21
InChIInChI=1S/C19H20N2O2S/c1-14-4-2-3-5-16(14)13-21-17(12-15-6-11-24-19(15)21)18(22)20-7-9-23-10-8-20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyUPDVTTNRTZCABL-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.53
Rot. Bonds3

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

[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone (PubChem CID 7226748) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone
PubChem CID7226748
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1Cn1c(C(=O)N2CCOCC2)cc2ccsc21
InChIInChI=1S/C19H20N2O2S/c1-14-4-2-3-5-16(14)13-21-17(12-15-6-11-24-19(15)21)18(22)20-7-9-23-10-8-20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyUPDVTTNRTZCABL-UHFFFAOYSA-N
XLogP3.53
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 7297153
morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
CID 7231189
1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7260864
(2S)-N-(4-cyanophenyl)-2-methyl-4-[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperazine-1-carboxamide
CID 93117231
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
[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone
CID 53111281
[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 7288350
(4-benzylpiperazin-4-ium-1-yl)-[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]methanone
CID 7328397
1-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7249390
[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 4229285
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone (CID 7226748) is [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone is Cc1ccccc1Cn1c(C(=O)N2CCOCC2)cc2ccsc21.
What is the InChIKey of [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is UPDVTTNRTZCABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-4-2-3-5-16(14)13-21-17(12-15-6-11-24-19(15)21)18(22)20-7-9-23-10-8-20/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 340.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 7226748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).