N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

C20H26N2OS — CID 110244140

IUPACN-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1(Cc2ccccc2-c2cccs2)CCNC1
InChIInChI=1S/C20H26N2OS/c1-15(2)13-22-19(23)20(9-10-21-14-20)12-16-6-3-4-7-17(16)18-8-5-11-24-18/h3-8,11,15,21H,9-10,12-14H2,1-2H3,(H,22,23)
InChIKeyJYKUODXHOSGJOL-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.71
Rot. Bonds6

About N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110244140) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110244140
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1(Cc2ccccc2-c2cccs2)CCNC1
InChIInChI=1S/C20H26N2OS/c1-15(2)13-22-19(23)20(9-10-21-14-20)12-16-6-3-4-7-17(16)18-8-5-11-24-18/h3-8,11,15,21H,9-10,12-14H2,1-2H3,(H,22,23)
InChIKeyJYKUODXHOSGJOL-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110244140) is N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)CNC(=O)C1(Cc2ccccc2-c2cccs2)CCNC1.
What is the InChIKey of N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is JYKUODXHOSGJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-15(2)13-22-19(23)20(9-10-21-14-20)12-16-6-3-4-7-17(16)18-8-5-11-24-18/h3-8,11,15,21H,9-10,12-14H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110244140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).