2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide

C26H32N6O3S — CID 59975698

About 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide

2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide (PubChem CID 59975698) has the molecular formula C26H32N6O3S and a molecular weight of 508.65 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide
• PubChem CID: 59975698
• Molecular Formula: C26H32N6O3S
• Molecular Weight: 508.65 g/mol
• Exact Mass: 508.23
• IUPAC Name: 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide
• SMILES: CC(C)(N)C(=O)N[C@H](Cc1ccsc1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2)cn1
• InChI: InChI=1S/C26H32N6O3S/c1-26(2,27)25(35)29-20(14-18-10-13-36-16-18)23(33)30-21-15-32(17-28-21)22(19-8-4-3-5-9-19)24(34)31-11-6-7-12-31/h3-5,8-10,13,15-17,20,22H,6-7,11-12,14,27H2,1-2H3,(H,29,35)(H,30,33)/t20-,22?/m1/s1
• InChIKey: GNQQHPNTRCVQPI-PSDZMVHGSA-N
• XLogP: 2.56
• TPSA: 122.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.65
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide?

The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide (CID 59975698) is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide.

What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide?

The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide is CC(C)(N)C(=O)N[C@H](Cc1ccsc1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2)cn1.

What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide?

The InChIKey is GNQQHPNTRCVQPI-PSDZMVHGSA-N. The full InChI is InChI=1S/C26H32N6O3S/c1-26(2,27)25(35)29-20(14-18-10-13-36-16-18)23(33)30-21-15-32(17-28-21)22(19-8-4-3-5-9-19)24(34)31-11-6-7-12-31/h3-5,8-10,13,15-17,20,22H,6-7,11-12,14,27H2,1-2H3,(H,29,35)(H,30,33)/t20-,22?/m1/s1.

What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide?

2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide has a molecular weight of 508.65 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-thiophen-3-ylpropan-2-yl]propanamide is sourced from PubChem (CID 59975698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).