4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide

C16H16N2OS — CID 20877133

IUPAC4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(NC(=O)c1cc2sccc2n1C)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-11(12-6-4-3-5-7-12)17-16(19)14-10-15-13(18(14)2)8-9-20-15/h3-11H,1-2H3,(H,17,19)
InChIKeyJAMJPASMSJEMMD-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.73
Rot. Bonds3

About 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide

4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 20877133) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID20877133
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(NC(=O)c1cc2sccc2n1C)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-11(12-6-4-3-5-7-12)17-16(19)14-10-15-13(18(14)2)8-9-20-15/h3-11H,1-2H3,(H,17,19)
InChIKeyJAMJPASMSJEMMD-UHFFFAOYSA-N
XLogP3.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 20877133) is 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide is CC(NC(=O)c1cc2sccc2n1C)c1ccccc1.
What is the InChIKey of 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is JAMJPASMSJEMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11(12-6-4-3-5-7-12)17-16(19)14-10-15-13(18(14)2)8-9-20-15/h3-11H,1-2H3,(H,17,19).
What are the key properties of 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 20877133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).