3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one

C19H19NO2S — CID 91204419

IUPAC3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one
SMILESCOc1cccc(CC(C)(C(=O)c2ccsc2)c2ccc[nH]2)c1
InChIInChI=1S/C19H19NO2S/c1-19(17-7-4-9-20-17,18(21)15-8-10-23-13-15)12-14-5-3-6-16(11-14)22-2/h3-11,13,20H,12H2,1-2H3
InChIKeyOQZOWRAXMAVANU-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.47
Rot. Bonds6

About 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one

3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one (PubChem CID 91204419) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one
PubChem CID91204419
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one
SMILESCOc1cccc(CC(C)(C(=O)c2ccsc2)c2ccc[nH]2)c1
InChIInChI=1S/C19H19NO2S/c1-19(17-7-4-9-20-17,18(21)15-8-10-23-13-15)12-14-5-3-6-16(11-14)22-2/h3-11,13,20H,12H2,1-2H3
InChIKeyOQZOWRAXMAVANU-UHFFFAOYSA-N
XLogP4.47
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(thiophen-3-yl)ethanone
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CID 91885438
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one (CID 91204419) is 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one is COc1cccc(CC(C)(C(=O)c2ccsc2)c2ccc[nH]2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one?
The InChIKey is OQZOWRAXMAVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-19(17-7-4-9-20-17,18(21)15-8-10-23-13-15)12-14-5-3-6-16(11-14)22-2/h3-11,13,20H,12H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one?
3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one has a molecular weight of 325.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-methyl-2-(1H-pyrrol-2-yl)-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 91204419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).