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

C19H15FN2O2S — CID 644788

IUPAC4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S/c20-14-5-3-13(4-6-14)12-22-16-7-9-25-18(16)10-17(22)19(23)21-11-15-2-1-8-24-15/h1-10H,11-12H2,(H,21,23)
InChIKeyITQYRGNTKVPSCE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.41
Rot. Bonds5

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

4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 644788) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID644788
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S/c20-14-5-3-13(4-6-14)12-22-16-7-9-25-18(16)10-17(22)19(23)21-11-15-2-1-8-24-15/h1-10H,11-12H2,(H,21,23)
InChIKeyITQYRGNTKVPSCE-UHFFFAOYSA-N
XLogP4.41
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 644788) is 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ITQYRGNTKVPSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-14-5-3-13(4-6-14)12-22-16-7-9-25-18(16)10-17(22)19(23)21-11-15-2-1-8-24-15/h1-10H,11-12H2,(H,21,23).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 644788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).