(NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide

C25H33NO2SSi — CID 164665124

IUPAC(NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/C#CCCCc2ccccc2)[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C25H33NO2SSi/c1-21-17-19-23(20-18-21)29(27,28)26-24(30(5,6)25(2,3)4)16-12-8-11-15-22-13-9-7-10-14-22/h7,9-10,13-14,17-20H,8,11,15H2,1-6H3/b26-24-
InChIKeyJDWGKAKJRUSAHI-LCUIJRPUSA-N
MW439.70 g/mol
LogP6.20
Rot. Bonds6

About (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide

(NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide (PubChem CID 164665124) has the molecular formula C25H33NO2SSi and a molecular weight of 439.70 g/mol. Its IUPAC name is (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide
PubChem CID164665124
Molecular FormulaC25H33NO2SSi
Molecular Weight439.70 g/mol
Exact Mass439.20
IUPAC Name(NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/C#CCCCc2ccccc2)[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C25H33NO2SSi/c1-21-17-19-23(20-18-21)29(27,28)26-24(30(5,6)25(2,3)4)16-12-8-11-15-22-13-9-7-10-14-22/h7,9-10,13-14,17-20H,8,11,15H2,1-6H3/b26-24-
InChIKeyJDWGKAKJRUSAHI-LCUIJRPUSA-N
XLogP6.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.70
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
(NZ)-N-[[tert-butyl(dimethyl)silyl]-phenylmethylidene]benzenesulfonamide
CID 164665268
N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
CID 134847359
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
CID 10935998
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
tert-butyl (2R)-2-benzyl-3-(4-methylphenyl)sulfonyloxypropanoate
CID 87909464
4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
CID 136791307
N'-(4-methylphenyl)sulfonyl-N-[4-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]iminocyclohexa-2,5-dien-1-ylidene]benzenecarboximidamide
CID 75408906
4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide
CID 134933102
(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide
CID 137288067
tert-butyl N-[(4-methylphenyl)-oxo-(2-phenylethyl)-λ6-sulfanylidene]carbamate
CID 122366374

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide (CID 164665124) is (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(/C#CCCCc2ccccc2)[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide?
The InChIKey is JDWGKAKJRUSAHI-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H33NO2SSi/c1-21-17-19-23(20-18-21)29(27,28)26-24(30(5,6)25(2,3)4)16-12-8-11-15-22-13-9-7-10-14-22/h7,9-10,13-14,17-20H,8,11,15H2,1-6H3/b26-24-.
What are the key properties of (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide has a molecular weight of 439.70 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[tert-butyl(dimethyl)silyl]-6-phenylhex-2-ynylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 164665124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).