5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide

C21H24N2OS — CID 87054467

IUPAC5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc3cn(C4CCCC4)cc3s2)cc1
InChIInChI=1S/C21H24N2OS/c1-2-15-7-9-16(10-8-15)12-22-21(24)19-11-17-13-23(14-20(17)25-19)18-5-3-4-6-18/h7-11,13-14,18H,2-6,12H2,1H3,(H,22,24)
InChIKeyJSPLWROEFQUMNB-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.31
Rot. Bonds5

About 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 87054467) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide
PubChem CID87054467
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc3cn(C4CCCC4)cc3s2)cc1
InChIInChI=1S/C21H24N2OS/c1-2-15-7-9-16(10-8-15)12-22-21(24)19-11-17-13-23(14-20(17)25-19)18-5-3-4-6-18/h7-11,13-14,18H,2-6,12H2,1H3,(H,22,24)
InChIKeyJSPLWROEFQUMNB-UHFFFAOYSA-N
XLogP5.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide (CID 87054467) is 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide is CCc1ccc(CNC(=O)c2cc3cn(C4CCCC4)cc3s2)cc1.
What is the InChIKey of 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is JSPLWROEFQUMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-2-15-7-9-16(10-8-15)12-22-21(24)19-11-17-13-23(14-20(17)25-19)18-5-3-4-6-18/h7-11,13-14,18H,2-6,12H2,1H3,(H,22,24).
What are the key properties of 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 87054467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).