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

C19H16N2O2S — CID 651472

IUPAC4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C19H16N2O2S/c22-19(20-12-15-7-4-9-23-15)17-11-18-16(8-10-24-18)21(17)13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,20,22)
InChIKeySKEHUCFPSRGREA-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.27
Rot. Bonds5

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

4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 651472) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID651472
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C19H16N2O2S/c22-19(20-12-15-7-4-9-23-15)17-11-18-16(8-10-24-18)21(17)13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,20,22)
InChIKeySKEHUCFPSRGREA-UHFFFAOYSA-N
XLogP4.27
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 651472) is 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is SKEHUCFPSRGREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-19(20-12-15-7-4-9-23-15)17-11-18-16(8-10-24-18)21(17)13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,20,22).
What are the key properties of 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 651472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).