2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C23H24ClN3OS — CID 56541037

IUPAC2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCCC1Cc1ccccc1Cl)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C23H24ClN3OS/c24-20-11-5-4-9-18(20)15-19-10-6-13-27(19)16-21(28)26-22(23-25-12-14-29-23)17-7-2-1-3-8-17/h1-5,7-9,11-12,14,19,22H,6,10,13,15-16H2,(H,26,28)
InChIKeyOQXGSRGLGASSPB-UHFFFAOYSA-N
MW425.99 g/mol
LogP4.71
Rot. Bonds7

About 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56541037) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56541037
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC Name2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCCC1Cc1ccccc1Cl)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C23H24ClN3OS/c24-20-11-5-4-9-18(20)15-19-10-6-13-27(19)16-21(28)26-22(23-25-12-14-29-23)17-7-2-1-3-8-17/h1-5,7-9,11-12,14,19,22H,6,10,13,15-16H2,(H,26,28)
InChIKeyOQXGSRGLGASSPB-UHFFFAOYSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.99
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56541037) is 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is O=C(CN1CCCC1Cc1ccccc1Cl)NC(c1ccccc1)c1nccs1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is OQXGSRGLGASSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3OS/c24-20-11-5-4-9-18(20)15-19-10-6-13-27(19)16-21(28)26-22(23-25-12-14-29-23)17-7-2-1-3-8-17/h1-5,7-9,11-12,14,19,22H,6,10,13,15-16H2,(H,26,28).
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 425.99 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56541037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).