2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride

C28H36ClN5O4S — CID 142633619

IUPAC2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CNc3ccccc32)CC1S(C)(=O)=O.Cl
InChIInChI=1S/C28H35N5O4S.ClH/c1-27(2,29)26(35)32-23(14-18-16-30-21-10-6-4-8-19(18)21)25(34)33-13-12-28(15-24(33)38(3,36)37)17-31-22-11-7-5-9-20(22)28;/h4-11,16,23-24,30-31H,12-15,17,29H2,1-3H3,(H,32,35);1H/t23-,24?,28?;/m1./s1
InChIKeyMFTXXWJVURCUIM-RPZXTHACSA-N
MW574.15 g/mol
LogP2.71
Rot. Bonds6

About 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 142633619) has the molecular formula C28H36ClN5O4S and a molecular weight of 574.15 g/mol. Its IUPAC name is 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
PubChem CID142633619
Molecular FormulaC28H36ClN5O4S
Molecular Weight574.15 g/mol
Exact Mass573.22
IUPAC Name2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CNc3ccccc32)CC1S(C)(=O)=O.Cl
InChIInChI=1S/C28H35N5O4S.ClH/c1-27(2,29)26(35)32-23(14-18-16-30-21-10-6-4-8-19(18)21)25(34)33-13-12-28(15-24(33)38(3,36)37)17-31-22-11-7-5-9-20(22)28;/h4-11,16,23-24,30-31H,12-15,17,29H2,1-3H3,(H,32,35);1H/t23-,24?,28?;/m1./s1
InChIKeyMFTXXWJVURCUIM-RPZXTHACSA-N
XLogP2.71
TPSA137.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.15
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 19030525
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 22875158
methyl 2-[1'-[(2R)-3-(1H-indol-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]spiro[1,2-dihydroindole-3,4'-piperidine]-2'-yl]sulfonyl-2-methylpropanoate
CID 70130940
2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
CID 22867440
2-amino-N-[1-[(1R)-1-(benzenesulfonamido)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 70343343
methyl 2-[[(1R)-1'-[2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]sulfamoyl]acetate;hydrochloride
CID 70343072
ethyl (1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylate;hydrochloride
CID 45260809
ethyl 2-[1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
CID 54098178
ethyl 1'-[2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylate
CID 70343590
N-[1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclohexanecarboxamide
CID 22867389
2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride
CID 21221997
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
CID 18391293

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride (CID 142633619) is 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CNc3ccccc32)CC1S(C)(=O)=O.Cl.
What is the InChIKey of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?
The InChIKey is MFTXXWJVURCUIM-RPZXTHACSA-N. The full InChI is InChI=1S/C28H35N5O4S.ClH/c1-27(2,29)26(35)32-23(14-18-16-30-21-10-6-4-8-19(18)21)25(34)33-13-12-28(15-24(33)38(3,36)37)17-31-22-11-7-5-9-20(22)28;/h4-11,16,23-24,30-31H,12-15,17,29H2,1-3H3,(H,32,35);1H/t23-,24?,28?;/m1./s1.
What are the key properties of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 574.15 g/mol, XLogP of 2.71, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 142633619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).