1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea

C24H25N3O2S — CID 51728503

About 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea

1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea (PubChem CID 51728503) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea
• PubChem CID: 51728503
• Molecular Formula: C24H25N3O2S
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.17
• IUPAC Name: 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea
• SMILES: O=C(NCc1ccccc1CN1CCCC1=O)N[C@H](c1ccccc1)c1cccs1
• InChI: InChI=1S/C24H25N3O2S/c28-22-13-6-14-27(22)17-20-11-5-4-10-19(20)16-25-24(29)26-23(21-12-7-15-30-21)18-8-2-1-3-9-18/h1-5,7-12,15,23H,6,13-14,16-17H2,(H2,25,26,29)/t23-/m1/s1
• InChIKey: VEQURSHOUXLCSN-HSZRJFAPSA-N
• XLogP: 4.46
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea?

The IUPAC name of 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea (CID 51728503) is 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea.

What is the SMILES notation for 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea?

The canonical SMILES for 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea is O=C(NCc1ccccc1CN1CCCC1=O)N[C@H](c1ccccc1)c1cccs1.

What is the InChIKey of 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea?

The InChIKey is VEQURSHOUXLCSN-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-22-13-6-14-27(22)17-20-11-5-4-10-19(20)16-25-24(29)26-23(21-12-7-15-30-21)18-8-2-1-3-9-18/h1-5,7-12,15,23H,6,13-14,16-17H2,(H2,25,26,29)/t23-/m1/s1.

What are the key properties of 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea?

1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea has a molecular weight of 419.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(R)-phenyl(thiophen-2-yl)methyl]urea is sourced from PubChem (CID 51728503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).