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

C24H24N2O2S — CID 93324417

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

4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 93324417) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
• PubChem CID: 93324417
• Molecular Formula: C24H24N2O2S
• Molecular Weight: 404.54 g/mol
• Exact Mass: 404.16
• IUPAC Name: 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
• SMILES: COc1cccc(Cn2c(C(=O)N[C@H](C)c3ccccc3)cc3sc(C)cc32)c1
• InChI: InChI=1S/C24H24N2O2S/c1-16-12-21-23(29-16)14-22(24(27)25-17(2)19-9-5-4-6-10-19)26(21)15-18-8-7-11-20(13-18)28-3/h4-14,17H,15H2,1-3H3,(H,25,27)/t17-/m1/s1
• InChIKey: ADIWJDFPEYPYHR-QGZVFWFLSA-N
• XLogP: 5.56
• TPSA: 43.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.54
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?

The IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 93324417) is 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.

What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?

The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is COc1cccc(Cn2c(C(=O)N[C@H](C)c3ccccc3)cc3sc(C)cc32)c1.

What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?

The InChIKey is ADIWJDFPEYPYHR-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-16-12-21-23(29-16)14-22(24(27)25-17(2)19-9-5-4-6-10-19)26(21)15-18-8-7-11-20(13-18)28-3/h4-14,17H,15H2,1-3H3,(H,25,27)/t17-/m1/s1.

What are the key properties of 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?

4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 93324417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).