3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

C22H23N3O2S2 — CID 42429502

About 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 42429502) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
• PubChem CID: 42429502
• Molecular Formula: C22H23N3O2S2
• Molecular Weight: 425.58 g/mol
• Exact Mass: 425.12
• IUPAC Name: 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
• SMILES: O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCc1csc(-c2ccccc2)n1
• InChI: InChI=1S/C22H23N3O2S2/c26-19(23-14-17-15-29-21(24-17)16-5-2-1-3-6-16)8-10-22(11-9-20(27)25-22)13-18-7-4-12-28-18/h1-7,12,15H,8-11,13-14H2,(H,23,26)(H,25,27)/t22-/m0/s1
• InChIKey: VRCWOXCPEJPNNL-QFIPXVFZSA-N
• XLogP: 4.16
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.58
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?

The IUPAC name of 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 42429502) is 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

What is the SMILES notation for 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?

The canonical SMILES for 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCc1csc(-c2ccccc2)n1.

What is the InChIKey of 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?

The InChIKey is VRCWOXCPEJPNNL-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c26-19(23-14-17-15-29-21(24-17)16-5-2-1-3-6-16)8-10-22(11-9-20(27)25-22)13-18-7-4-12-28-18/h1-7,12,15H,8-11,13-14H2,(H,23,26)(H,25,27)/t22-/m0/s1.

What are the key properties of 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?

3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 425.58 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 42429502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).