4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide

C20H24N2OS — CID 46039009

IUPAC4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCNC(=O)c1cc2sccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2OS/c1-5-21-19(23)17-12-18-16(10-11-24-18)22(17)13-14-6-8-15(9-7-14)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeyDJZGAMJXSSDEHG-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.80
Rot. Bonds4

About 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide

4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039009) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039009
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCNC(=O)c1cc2sccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2OS/c1-5-21-19(23)17-12-18-16(10-11-24-18)22(17)13-14-6-8-15(9-7-14)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeyDJZGAMJXSSDEHG-UHFFFAOYSA-N
XLogP4.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide (CID 46039009) is 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide is CCNC(=O)c1cc2sccc2n1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DJZGAMJXSSDEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-5-21-19(23)17-12-18-16(10-11-24-18)22(17)13-14-6-8-15(9-7-14)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,21,23).
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide?
4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).