6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide

C26H33NO4SSi — CID 140900123

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide
SMILESCCOc1cccc(NC(=S)C2=Cc3cc(OCC)c(O[Si](C)(C)C(C)(C)C)cc3C2=O)c1
InChIInChI=1S/C26H33NO4SSi/c1-8-29-19-12-10-11-18(15-19)27-25(32)21-13-17-14-22(30-9-2)23(16-20(17)24(21)28)31-33(6,7)26(3,4)5/h10-16H,8-9H2,1-7H3,(H,27,32)
InChIKeySODHFSCAKKAUFU-UHFFFAOYSA-N
MW483.71 g/mol
LogP6.89
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide

6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide (PubChem CID 140900123) has the molecular formula C26H33NO4SSi and a molecular weight of 483.71 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide
PubChem CID140900123
Molecular FormulaC26H33NO4SSi
Molecular Weight483.71 g/mol
Exact Mass483.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide
SMILESCCOc1cccc(NC(=S)C2=Cc3cc(OCC)c(O[Si](C)(C)C(C)(C)C)cc3C2=O)c1
InChIInChI=1S/C26H33NO4SSi/c1-8-29-19-12-10-11-18(15-19)27-25(32)21-13-17-14-22(30-9-2)23(16-20(17)24(21)28)31-33(6,7)26(3,4)5/h10-16H,8-9H2,1-7H3,(H,27,32)
InChIKeySODHFSCAKKAUFU-UHFFFAOYSA-N
XLogP6.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.71
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethoxyphenyl)-3-phenylthiourea
CID 3249532
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
N-tert-butyl-3-ethoxyaniline
CID 58745523
1-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(3-ethoxyphenyl)thiourea
CID 100743405
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide (CID 140900123) is 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide is CCOc1cccc(NC(=S)C2=Cc3cc(OCC)c(O[Si](C)(C)C(C)(C)C)cc3C2=O)c1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide?
The InChIKey is SODHFSCAKKAUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4SSi/c1-8-29-19-12-10-11-18(15-19)27-25(32)21-13-17-14-22(30-9-2)23(16-20(17)24(21)28)31-33(6,7)26(3,4)5/h10-16H,8-9H2,1-7H3,(H,27,32).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide?
6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide has a molecular weight of 483.71 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 6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide is sourced from PubChem (CID 140900123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).