2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide

C36H34N2O4S — CID 102223607

IUPAC2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide
SMILESCC1=CC(=O)O[C@H]1[C@@]1(NS(=O)C(C)(C)C)C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C36H34N2O4S/c1-25-24-31(39)42-32(25)35(37-43(41)34(2,3)4)29-22-14-15-23-30(29)38(33(35)40)36(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-24,32,37H,1-4H3/t32-,35-,43?/m1/s1
InChIKeyJJHZGZKJFGCYJX-AYCJPABSSA-N
MW590.75 g/mol
LogP6.14
Rot. Bonds7

About 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide

2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide (PubChem CID 102223607) has the molecular formula C36H34N2O4S and a molecular weight of 590.75 g/mol. Its IUPAC name is 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide
PubChem CID102223607
Molecular FormulaC36H34N2O4S
Molecular Weight590.75 g/mol
Exact Mass590.22
IUPAC Name2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide
SMILESCC1=CC(=O)O[C@H]1[C@@]1(NS(=O)C(C)(C)C)C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C36H34N2O4S/c1-25-24-31(39)42-32(25)35(37-43(41)34(2,3)4)29-22-14-15-23-30(29)38(33(35)40)36(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-24,32,37H,1-4H3/t32-,35-,43?/m1/s1
InChIKeyJJHZGZKJFGCYJX-AYCJPABSSA-N
XLogP6.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide with MolForge

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Launch Full Analysis

Related Compounds

(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide
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ethyl 2-[[(3S)-3-(tert-butylsulfinylamino)-5-iodo-2-oxo-1-tritylindol-3-yl]methyl]prop-2-enoate
CID 155935038
ethyl 2-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]-5-methoxy-2-oxo-1-tritylindol-3-yl]acetate
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ethyl 2-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]-7-fluoro-2-oxo-1-tritylindol-3-yl]acetate
CID 134848412
(3R)-3-hydroxy-3-(3-methylbutanoyl)-1-tritylindol-2-one
CID 138964758
1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione
CID 56963952
3-amino-3-thiophen-3-yl-1-tritylindol-2-one
CID 175254497
(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one
CID 164523167
(3R)-3-hexanoyl-3-hydroxy-1-tritylindol-2-one
CID 138964754
(3S)-2'-amino-2-oxo-6'-phenyl-1-tritylspiro[indole-3,4'-pyran]-3',5'-dicarbonitrile
CID 132819654
(R)-2-methyl-N-[(1S)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]propane-2-sulfinamide
CID 71659595
N-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-methylpropane-2-sulfinamide
CID 102531314

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide (CID 102223607) is 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide is CC1=CC(=O)O[C@H]1[C@@]1(NS(=O)C(C)(C)C)C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide?
The InChIKey is JJHZGZKJFGCYJX-AYCJPABSSA-N. The full InChI is InChI=1S/C36H34N2O4S/c1-25-24-31(39)42-32(25)35(37-43(41)34(2,3)4)29-22-14-15-23-30(29)38(33(35)40)36(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-24,32,37H,1-4H3/t32-,35-,43?/m1/s1.
What are the key properties of 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide?
2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide has a molecular weight of 590.75 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 102223607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).