ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate

C20H21NO5S — CID 126601197

IUPACethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2cc(OC)c(OC)c(OC)c2)cc1-c1cccs1
InChIInChI=1S/C20H21NO5S/c1-5-26-20(22)18-13(17-7-6-8-27-17)11-14(21-18)12-9-15(23-2)19(25-4)16(10-12)24-3/h6-11,21H,5H2,1-4H3
InChIKeyGREPVSGTSZHOAA-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.61
Rot. Bonds7

About ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate

ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate (PubChem CID 126601197) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
PubChem CID126601197
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Nameethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2cc(OC)c(OC)c(OC)c2)cc1-c1cccs1
InChIInChI=1S/C20H21NO5S/c1-5-26-20(22)18-13(17-7-6-8-27-17)11-14(21-18)12-9-15(23-2)19(25-4)16(10-12)24-3/h6-11,21H,5H2,1-4H3
InChIKeyGREPVSGTSZHOAA-UHFFFAOYSA-N
XLogP4.61
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 175986779
2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
CID 143844967
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331754
ethyl 5-(4-iodophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 102235864
ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 141297667
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
ethyl 3-thiophen-2-ylbenzoate
CID 162653930
ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
CID 164666178
ethyl 2,5-dimethyl-4-thiophen-2-yl-1H-pyrrole-3-carboxylate
CID 13380754
ethyl 4-methoxy-1-benzothiophene-6-carboxylate
CID 11459009
3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid
CID 16768846
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654

Frequently Asked Questions

What is the IUPAC name of ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate (CID 126601197) is ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(-c2cc(OC)c(OC)c(OC)c2)cc1-c1cccs1.
What is the InChIKey of ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is GREPVSGTSZHOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-5-26-20(22)18-13(17-7-6-8-27-17)11-14(21-18)12-9-15(23-2)19(25-4)16(10-12)24-3/h6-11,21H,5H2,1-4H3.
What are the key properties of ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 126601197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).