1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide

C24H29N3O3S — CID 50831083

About 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 50831083) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
• PubChem CID: 50831083
• Molecular Formula: C24H29N3O3S
• Molecular Weight: 439.58 g/mol
• Exact Mass: 439.19
• IUPAC Name: 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
• SMILES: COc1cccc(Cn2c(C(=O)N3CCC(C(=O)NC(C)C)CC3)cc3ccsc32)c1
• InChI: InChI=1S/C24H29N3O3S/c1-16(2)25-22(28)18-7-10-26(11-8-18)23(29)21-14-19-9-12-31-24(19)27(21)15-17-5-4-6-20(13-17)30-3/h4-6,9,12-14,16,18H,7-8,10-11,15H2,1-3H3,(H,25,28)
• InChIKey: UHSRIUJDHQQDIN-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.58
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide?

The IUPAC name of 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 50831083) is 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide?

The canonical SMILES for 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide is COc1cccc(Cn2c(C(=O)N3CCC(C(=O)NC(C)C)CC3)cc3ccsc32)c1.

What is the InChIKey of 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide?

The InChIKey is UHSRIUJDHQQDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-16(2)25-22(28)18-7-10-26(11-8-18)23(29)21-14-19-9-12-31-24(19)27(21)15-17-5-4-6-20(13-17)30-3/h4-6,9,12-14,16,18H,7-8,10-11,15H2,1-3H3,(H,25,28).

What are the key properties of 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide?

1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 50831083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).