2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide

C28H37N5O6S — CID 170343289

About 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide

2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide (PubChem CID 170343289) has the molecular formula C28H37N5O6S and a molecular weight of 571.70 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide
• PubChem CID: 170343289
• Molecular Formula: C28H37N5O6S
• Molecular Weight: 571.70 g/mol
• Exact Mass: 571.25
• IUPAC Name: 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide
• SMILES: CC(C)(NC(=O)CN)C(=O)N[C@H](COc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12
• InChI: InChI=1S/C28H37N5O6S/c1-27(2,31-24(34)17-29)26(36)30-22(18-39-20-9-5-4-6-10-20)25(35)32-15-13-28(14-16-32)19-33(40(3,37)38)23-12-8-7-11-21(23)28/h4-12,22H,13-19,29H2,1-3H3,(H,30,36)(H,31,34)/t22-/m1/s1
• InChIKey: KCESQDWOXDRRPA-JOCHJYFZSA-N
• XLogP: 0.74
• TPSA: 151.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.70
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide?

The IUPAC name of 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide (CID 170343289) is 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide.

What is the SMILES notation for 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide?

The canonical SMILES for 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide is CC(C)(NC(=O)CN)C(=O)N[C@H](COc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.

What is the InChIKey of 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide?

The InChIKey is KCESQDWOXDRRPA-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H37N5O6S/c1-27(2,31-24(34)17-29)26(36)30-22(18-39-20-9-5-4-6-10-20)25(35)32-15-13-28(14-16-32)19-33(40(3,37)38)23-12-8-7-11-21(23)28/h4-12,22H,13-19,29H2,1-3H3,(H,30,36)(H,31,34)/t22-/m1/s1.

What are the key properties of 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide?

2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide has a molecular weight of 571.70 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-aminoacetyl)amino]-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenoxypropan-2-yl]propanamide is sourced from PubChem (CID 170343289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).