2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide

C28H34FN5O4S — CID 70225697

About 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide

2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide (PubChem CID 70225697) has the molecular formula C28H34FN5O4S and a molecular weight of 555.68 g/mol. Its IUPAC name is 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide
• PubChem CID: 70225697
• Molecular Formula: C28H34FN5O4S
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.23
• IUPAC Name: 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide
• SMILES: CC(C)(N)C(=O)NC[C@H](C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12)c1c[nH]c2ccc(F)cc12
• InChI: InChI=1S/C28H34FN5O4S/c1-27(2,30)26(36)32-16-21(20-15-31-23-9-8-18(29)14-19(20)23)25(35)33-12-10-28(11-13-33)17-34(39(3,37)38)24-7-5-4-6-22(24)28/h4-9,14-15,21,31H,10-13,16-17,30H2,1-3H3,(H,32,36)/t21-/m0/s1
• InChIKey: NVWUPQLTRLYBLR-NRFANRHFSA-N
• XLogP: 2.58
• TPSA: 128.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide (CID 70225697) is 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide is CC(C)(N)C(=O)NC[C@H](C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12)c1c[nH]c2ccc(F)cc12.

What is the InChIKey of 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide?

The InChIKey is NVWUPQLTRLYBLR-NRFANRHFSA-N. The full InChI is InChI=1S/C28H34FN5O4S/c1-27(2,30)26(36)32-16-21(20-15-31-23-9-8-18(29)14-19(20)23)25(35)33-12-10-28(11-13-33)17-34(39(3,37)38)24-7-5-4-6-22(24)28/h4-9,14-15,21,31H,10-13,16-17,30H2,1-3H3,(H,32,36)/t21-/m0/s1.

What are the key properties of 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide?

2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide has a molecular weight of 555.68 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-2-(5-fluoro-1H-indol-3-yl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-oxopropyl]-2-methylpropanamide is sourced from PubChem (CID 70225697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).