1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

C24H29ClN4O2S — CID 50830856

About 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 50830856) has the molecular formula C24H29ClN4O2S and a molecular weight of 473.04 g/mol. Its IUPAC name is 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
• PubChem CID: 50830856
• Molecular Formula: C24H29ClN4O2S
• Molecular Weight: 473.04 g/mol
• Exact Mass: 472.17
• IUPAC Name: 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
• SMILES: CN(C)CCNC(=O)C1CCN(C(=O)c2cc3ccsc3n2Cc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C24H29ClN4O2S/c1-27(2)13-10-26-22(30)18-7-11-28(12-8-18)23(31)21-15-19-9-14-32-24(19)29(21)16-17-3-5-20(25)6-4-17/h3-6,9,14-15,18H,7-8,10-13,16H2,1-2H3,(H,26,30)
• InChIKey: BSPINRSYIFJYDU-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.04
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (CID 50830856) is 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(C(=O)c2cc3ccsc3n2Cc2ccc(Cl)cc2)CC1.

What is the InChIKey of 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?

The InChIKey is BSPINRSYIFJYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2S/c1-27(2)13-10-26-22(30)18-7-11-28(12-8-18)23(31)21-15-19-9-14-32-24(19)29(21)16-17-3-5-20(25)6-4-17/h3-6,9,14-15,18H,7-8,10-13,16H2,1-2H3,(H,26,30).

What are the key properties of 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?

1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 473.04 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50830856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).