N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C20H24N2O3S — CID 3241707

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OCC
InChIInChI=1S/C20H24N2O3S/c1-4-24-17-7-6-14(12-18(17)25-5-2)8-10-21-20(23)16-13-19-15(22(16)3)9-11-26-19/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,21,23)
InChIKeyPKRHVQZNLQUULK-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.01
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3241707) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3241707
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OCC
InChIInChI=1S/C20H24N2O3S/c1-4-24-17-7-6-14(12-18(17)25-5-2)8-10-21-20(23)16-13-19-15(22(16)3)9-11-26-19/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,21,23)
InChIKeyPKRHVQZNLQUULK-UHFFFAOYSA-N
XLogP4.01
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 3241707) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is CCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is PKRHVQZNLQUULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-24-17-7-6-14(12-18(17)25-5-2)8-10-21-20(23)16-13-19-15(22(16)3)9-11-26-19/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3241707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).