(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide

C37H36N2O4S — CID 139041849

IUPAC(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC1=C[C@](C)([C@@]2(N[S@](=O)C(C)(C)C)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc32)OC1=O
InChIInChI=1S/C37H36N2O4S/c1-26-25-35(5,43-32(26)40)37(38-44(42)34(2,3)4)30-23-15-16-24-31(30)39(33(37)41)36(27-17-9-6-10-18-27,28-19-11-7-12-20-28)29-21-13-8-14-22-29/h6-25,38H,1-5H3/t35-,37+,44-/m1/s1
InChIKeyHLWUBFWXZONXES-VDCFVHECSA-N
MW604.77 g/mol
LogP6.53
Rot. Bonds7

About (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 139041849) has the molecular formula C37H36N2O4S and a molecular weight of 604.77 g/mol. Its IUPAC name is (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID139041849
Molecular FormulaC37H36N2O4S
Molecular Weight604.77 g/mol
Exact Mass604.24
IUPAC Name(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC1=C[C@](C)([C@@]2(N[S@](=O)C(C)(C)C)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc32)OC1=O
InChIInChI=1S/C37H36N2O4S/c1-26-25-35(5,43-32(26)40)37(38-44(42)34(2,3)4)30-23-15-16-24-31(30)39(33(37)41)36(27-17-9-6-10-18-27,28-19-11-7-12-20-28)29-21-13-8-14-22-29/h6-25,38H,1-5H3/t35-,37+,44-/m1/s1
InChIKeyHLWUBFWXZONXES-VDCFVHECSA-N
XLogP6.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.77
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide
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ethyl 2-[[(3S)-3-(tert-butylsulfinylamino)-5-iodo-2-oxo-1-tritylindol-3-yl]methyl]prop-2-enoate
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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
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3-amino-3-thiophen-3-yl-1-tritylindol-2-one
CID 175254497
1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione
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(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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide (CID 139041849) is (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide is CC1=C[C@](C)([C@@]2(N[S@](=O)C(C)(C)C)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc32)OC1=O.
What is the InChIKey of (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is HLWUBFWXZONXES-VDCFVHECSA-N. The full InChI is InChI=1S/C37H36N2O4S/c1-26-25-35(5,43-32(26)40)37(38-44(42)34(2,3)4)30-23-15-16-24-31(30)39(33(37)41)36(27-17-9-6-10-18-27,28-19-11-7-12-20-28)29-21-13-8-14-22-29/h6-25,38H,1-5H3/t35-,37+,44-/m1/s1.
What are the key properties of (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 604.77 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139041849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).