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

C18H19NO3S — CID 45106326

IUPACmethyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1cc2c(cc(C(=O)OC)n2Cc2cccc(OC)c2)s1
InChIInChI=1S/C18H19NO3S/c1-4-14-9-15-17(23-14)10-16(18(20)22-3)19(15)11-12-6-5-7-13(8-12)21-2/h5-10H,4,11H2,1-3H3
InChIKeyCQUHALKYTCPEOB-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.11
Rot. Bonds5

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

methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 45106326) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID45106326
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Namemethyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1cc2c(cc(C(=O)OC)n2Cc2cccc(OC)c2)s1
InChIInChI=1S/C18H19NO3S/c1-4-14-9-15-17(23-14)10-16(18(20)22-3)19(15)11-12-6-5-7-13(8-12)21-2/h5-10H,4,11H2,1-3H3
InChIKeyCQUHALKYTCPEOB-UHFFFAOYSA-N
XLogP4.11
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 45106326) is methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate is CCc1cc2c(cc(C(=O)OC)n2Cc2cccc(OC)c2)s1.
What is the InChIKey of methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CQUHALKYTCPEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-4-14-9-15-17(23-14)10-16(18(20)22-3)19(15)11-12-6-5-7-13(8-12)21-2/h5-10H,4,11H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 329.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 45106326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).