N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide

C30H36N2O4SSi — CID 138983524

IUPACN-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)n2c(CO[Si](C)(C)C(C)(C)C)c(NC(=O)Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C30H36N2O4SSi/c1-22-16-18-24(19-17-22)37(34,35)32-26-15-11-10-14-25(26)29(27(32)21-36-38(5,6)30(2,3)4)31-28(33)20-23-12-8-7-9-13-23/h7-19H,20-21H2,1-6H3,(H,31,33)
InChIKeyRRNLCWSVRHHQPA-UHFFFAOYSA-N
MW548.78 g/mol
LogP6.89
Rot. Bonds8

About N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide

N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide (PubChem CID 138983524) has the molecular formula C30H36N2O4SSi and a molecular weight of 548.78 g/mol. Its IUPAC name is N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
PubChem CID138983524
Molecular FormulaC30H36N2O4SSi
Molecular Weight548.78 g/mol
Exact Mass548.22
IUPAC NameN-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)n2c(CO[Si](C)(C)C(C)(C)C)c(NC(=O)Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C30H36N2O4SSi/c1-22-16-18-24(19-17-22)37(34,35)32-26-15-11-10-14-25(26)29(27(32)21-36-38(5,6)30(2,3)4)31-28(33)20-23-12-8-7-9-13-23/h7-19H,20-21H2,1-6H3,(H,31,33)
InChIKeyRRNLCWSVRHHQPA-UHFFFAOYSA-N
XLogP6.89
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.78
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
CID 132918897
tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane
CID 53261300
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175
methyl 2-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylindol-2-yl]acetate
CID 134933724
1-[3-(5-tert-butylfuran-2-yl)-1-(4-methylphenyl)sulfonylindol-2-yl]-4,4-dimethylpentan-3-one
CID 101451800
tert-butyl-dimethyl-[4-[1-(4-methylphenyl)sulfonylindol-2-yl]butoxy]silane
CID 102159661
N,N-dibenzyl-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]ethanamine
CID 177394867
3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 133054783
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 59051238
methyl 9-(4-methylphenyl)sulfonyl-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]furan-2-yl]pyrido[3,4-b]indole-3-carboxylate
CID 50936648
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
CID 10450874

Frequently Asked Questions

What is the IUPAC name of N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide (CID 138983524) is N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide is Cc1ccc(S(=O)(=O)n2c(CO[Si](C)(C)C(C)(C)C)c(NC(=O)Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide?
The InChIKey is RRNLCWSVRHHQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4SSi/c1-22-16-18-24(19-17-22)37(34,35)32-26-15-11-10-14-25(26)29(27(32)21-36-38(5,6)30(2,3)4)31-28(33)20-23-12-8-7-9-13-23/h7-19H,20-21H2,1-6H3,(H,31,33).
What are the key properties of N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide?
N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide has a molecular weight of 548.78 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 138983524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).