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

C22H19FN2O2S — CID 1428064

IUPAC4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2S/c1-27-20-5-3-2-4-16(20)13-24-22(26)19-12-21-18(10-11-28-21)25(19)14-15-6-8-17(23)9-7-15/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyXQQIDAHHZQBIHT-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.83
Rot. Bonds6

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

4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 1428064) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID1428064
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2S/c1-27-20-5-3-2-4-16(20)13-24-22(26)19-12-21-18(10-11-28-21)25(19)14-15-6-8-17(23)9-7-15/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyXQQIDAHHZQBIHT-UHFFFAOYSA-N
XLogP4.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.83
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-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 1428064) is 4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is COc1ccccc1CNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XQQIDAHHZQBIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-27-20-5-3-2-4-16(20)13-24-22(26)19-12-21-18(10-11-28-21)25(19)14-15-6-8-17(23)9-7-15/h2-12H,13-14H2,1H3,(H,24,26).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.83, 6 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-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 1428064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).