6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide

C22H19FN2OS — CID 4131807

IUPAC6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2ccsc2n1Cc1ccc(F)cc1
InChIInChI=1S/C22H19FN2OS/c23-19-8-6-17(7-9-19)15-25-20(14-18-11-13-27-22(18)25)21(26)24-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,24,26)
InChIKeyWANIQMZCJNKMJF-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.86
Rot. Bonds6

About 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide

6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 4131807) has the molecular formula C22H19FN2OS and a molecular weight of 378.47 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID4131807
Molecular FormulaC22H19FN2OS
Molecular Weight378.47 g/mol
Exact Mass378.12
IUPAC Name6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2ccsc2n1Cc1ccc(F)cc1
InChIInChI=1S/C22H19FN2OS/c23-19-8-6-17(7-9-19)15-25-20(14-18-11-13-27-22(18)25)21(26)24-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,24,26)
InChIKeyWANIQMZCJNKMJF-UHFFFAOYSA-N
XLogP4.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797272
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
CID 7301899
6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7215376
ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 6487721
6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7215375
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225394
1-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7249390
methyl 6-[2-oxo-2-(3-phenylpropylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024504
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide (CID 4131807) is 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide is O=C(NCCc1ccccc1)c1cc2ccsc2n1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is WANIQMZCJNKMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2OS/c23-19-8-6-17(7-9-19)15-25-20(14-18-11-13-27-22(18)25)21(26)24-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,24,26).
What are the key properties of 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 4131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).