2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide

C28H38N4O4S — CID 154730623

IUPAC2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide
SMILESCC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)C1N(S(C)(=O)=O)c2ccccc2C12CCNCC2
InChIInChI=1S/C28H38N4O4S/c1-27(2,29)26(34)31-22(14-9-12-20-10-5-4-6-11-20)24(33)25-28(16-18-30-19-17-28)21-13-7-8-15-23(21)32(25)37(3,35)36/h4-8,10-11,13,15,22,25,30H,9,12,14,16-19,29H2,1-3H3,(H,31,34)
InChIKeyJBGJZCPTNCEMBP-UHFFFAOYSA-N
MW526.70 g/mol
LogP2.27
Rot. Bonds9

About 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide

2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide (PubChem CID 154730623) has the molecular formula C28H38N4O4S and a molecular weight of 526.70 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide
PubChem CID154730623
Molecular FormulaC28H38N4O4S
Molecular Weight526.70 g/mol
Exact Mass526.26
IUPAC Name2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide
SMILESCC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)C1N(S(C)(=O)=O)c2ccccc2C12CCNCC2
InChIInChI=1S/C28H38N4O4S/c1-27(2,29)26(34)31-22(14-9-12-20-10-5-4-6-11-20)24(33)25-28(16-18-30-19-17-28)21-13-7-8-15-23(21)32(25)37(3,35)36/h4-8,10-11,13,15,22,25,30H,9,12,14,16-19,29H2,1-3H3,(H,31,34)
InChIKeyJBGJZCPTNCEMBP-UHFFFAOYSA-N
XLogP2.27
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.70
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide (CID 154730623) is 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide is CC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)C1N(S(C)(=O)=O)c2ccccc2C12CCNCC2.
What is the InChIKey of 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide?
The InChIKey is JBGJZCPTNCEMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4S/c1-27(2,29)26(34)31-22(14-9-12-20-10-5-4-6-11-20)24(33)25-28(16-18-30-19-17-28)21-13-7-8-15-23(21)32(25)37(3,35)36/h4-8,10-11,13,15,22,25,30H,9,12,14,16-19,29H2,1-3H3,(H,31,34).
What are the key properties of 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide?
2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide has a molecular weight of 526.70 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide is sourced from PubChem (CID 154730623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).