1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C26H32N2O2S — CID 110231587

About 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231587) has the molecular formula C26H32N2O2S and a molecular weight of 436.62 g/mol. Its IUPAC name is 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 110231587
• Molecular Formula: C26H32N2O2S
• Molecular Weight: 436.62 g/mol
• Exact Mass: 436.22
• IUPAC Name: 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CN(C)C(=O)C1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2C3CCCCC32)C1
• InChI: InChI=1S/C26H32N2O2S/c1-27(2)25(30)26(15-18-7-9-19(10-8-18)20-11-14-31-16-20)12-13-28(17-26)24(29)23-21-5-3-4-6-22(21)23/h7-11,14,16,21-23H,3-6,12-13,15,17H2,1-2H3
• InChIKey: XLYOJNVVGOXYFD-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.62
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231587) is 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)C1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2C3CCCCC32)C1.

What is the InChIKey of 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is XLYOJNVVGOXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2S/c1-27(2)25(30)26(15-18-7-9-19(10-8-18)20-11-14-31-16-20)12-13-28(17-26)24(29)23-21-5-3-4-6-22(21)23/h7-11,14,16,21-23H,3-6,12-13,15,17H2,1-2H3.

What are the key properties of 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 436.62 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).