ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate

C17H17NO3S — CID 127038028

IUPACethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C17H17NO3S/c1-3-21-17(19)15-10-16-14(8-9-22-16)18(15)11-12-4-6-13(20-2)7-5-12/h4-10H,3,11H2,1-2H3
InChIKeyYUGRCGNXFUNNII-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.94
Rot. Bonds5

About ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 127038028) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID127038028
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Nameethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C17H17NO3S/c1-3-21-17(19)15-10-16-14(8-9-22-16)18(15)11-12-4-6-13(20-2)7-5-12/h4-10H,3,11H2,1-2H3
InChIKeyYUGRCGNXFUNNII-UHFFFAOYSA-N
XLogP3.94
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 127038028) is ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is YUGRCGNXFUNNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-3-21-17(19)15-10-16-14(8-9-22-16)18(15)11-12-4-6-13(20-2)7-5-12/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 315.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 127038028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).