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

C20H15FN2OS — CID 3225121

IUPAC4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C20H15FN2OS/c21-15-7-4-8-16(11-15)22-20(24)18-12-19-17(9-10-25-19)23(18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24)
InChIKeyAWFRPRPOPDKKLF-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.14
Rot. Bonds4

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

4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225121) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225121
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C20H15FN2OS/c21-15-7-4-8-16(11-15)22-20(24)18-12-19-17(9-10-25-19)23(18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24)
InChIKeyAWFRPRPOPDKKLF-UHFFFAOYSA-N
XLogP5.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
4-[(3-fluorophenyl)methyl]-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039079
N-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052152
methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 75769576
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
CID 155803468
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3225121) is 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide is O=C(Nc1cccc(F)c1)c1cc2sccc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is AWFRPRPOPDKKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/c21-15-7-4-8-16(11-15)22-20(24)18-12-19-17(9-10-25-19)23(18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24).
What are the key properties of 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).