N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide

C32H34N2O3SSi — CID 87787954

IUPACN-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\CCc3c(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cccc32)cc1
InChIInChI=1S/C32H34N2O3SSi/c1-24-18-20-25(21-19-24)38(35,36)34-33-30-23-22-29-28(30)16-11-17-31(29)37-39(32(2,3)4,26-12-7-5-8-13-26)27-14-9-6-10-15-27/h5-21,34H,22-23H2,1-4H3/b33-30+
InChIKeyOUJQKQHNINVPKL-KKYHWDRJSA-N
MW554.79 g/mol
LogP5.56
Rot. Bonds7

About N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide

N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 87787954) has the molecular formula C32H34N2O3SSi and a molecular weight of 554.79 g/mol. Its IUPAC name is N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
PubChem CID87787954
Molecular FormulaC32H34N2O3SSi
Molecular Weight554.79 g/mol
Exact Mass554.21
IUPAC NameN-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\CCc3c(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cccc32)cc1
InChIInChI=1S/C32H34N2O3SSi/c1-24-18-20-25(21-19-24)38(35,36)34-33-30-23-22-29-28(30)16-11-17-31(29)37-39(32(2,3)4,26-12-7-5-8-13-26)27-14-9-6-10-15-27/h5-21,34H,22-23H2,1-4H3/b33-30+
InChIKeyOUJQKQHNINVPKL-KKYHWDRJSA-N
XLogP5.56
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.79
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide 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

N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
CID 23539545
N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 129395280
N-[(Z)-[(1S,3aS,5R,6R,6aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-methyl-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 90681898
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 54011243
N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-chlorobutan-2-yl]-4-methylbenzenesulfonamide
CID 102306083
N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 169258244
methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 4597154
N-[(Z)-1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-ylideneamino]-4-methylbenzenesulfonamide
CID 20565981
3-[tert-butyl(diphenyl)silyl]oxypropyl 4-methylbenzenesulfonate
CID 14616924
tert-butyl-diphenyl-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)silane;4-methylbenzenesulfonic acid
CID 86753745
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide (CID 87787954) is N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2\CCc3c(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cccc32)cc1.
What is the InChIKey of N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is OUJQKQHNINVPKL-KKYHWDRJSA-N. The full InChI is InChI=1S/C32H34N2O3SSi/c1-24-18-20-25(21-19-24)38(35,36)34-33-30-23-22-29-28(30)16-11-17-31(29)37-39(32(2,3)4,26-12-7-5-8-13-26)27-14-9-6-10-15-27/h5-21,34H,22-23H2,1-4H3/b33-30+.
What are the key properties of N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide?
N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 554.79 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 87787954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).