(Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide

C22H33NO4SSi — CID 138965231

IUPAC(Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C(=C\CCC(=O)[Si](C)(C)C(C)(C)C)C2CC2)cc1
InChIInChI=1S/C22H33NO4SSi/c1-16-10-14-18(15-11-16)28(26,27)23-21(25)19(17-12-13-17)8-7-9-20(24)29(5,6)22(2,3)4/h8,10-11,14-15,17H,7,9,12-13H2,1-6H3,(H,23,25)/b19-8-
InChIKeyRUUJMMPJSRCOPU-UWVJOHFNSA-N
MW435.66 g/mol
LogP4.53
Rot. Bonds8

About (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide

(Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide (PubChem CID 138965231) has the molecular formula C22H33NO4SSi and a molecular weight of 435.66 g/mol. Its IUPAC name is (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide
PubChem CID138965231
Molecular FormulaC22H33NO4SSi
Molecular Weight435.66 g/mol
Exact Mass435.19
IUPAC Name(Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C(=C\CCC(=O)[Si](C)(C)C(C)(C)C)C2CC2)cc1
InChIInChI=1S/C22H33NO4SSi/c1-16-10-14-18(15-11-16)28(26,27)23-21(25)19(17-12-13-17)8-7-9-20(24)29(5,6)22(2,3)4/h8,10-11,14-15,17H,7,9,12-13H2,1-6H3,(H,23,25)/b19-8-
InChIKeyRUUJMMPJSRCOPU-UWVJOHFNSA-N
XLogP4.53
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.66
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide 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

(Z)-6-[tert-butyl(dimethyl)silyl]-N-(4-methylphenyl)sulfonyl-6-oxo-2-phenylhex-2-enamide
CID 138965228
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
(2Z)-N-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethylidene)pentanamide
CID 102369559
[(1R,4S)-4-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclohex-2-en-1-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 11005717
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
2-methylidene-N-(4-methylphenyl)sulfonylbutanediamide
CID 54560302
N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide
CID 91736357
N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
CID 165343830
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide?
The IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide (CID 138965231) is (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide.
What is the SMILES notation for (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide?
The canonical SMILES for (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide is Cc1ccc(S(=O)(=O)NC(=O)/C(=C\CCC(=O)[Si](C)(C)C(C)(C)C)C2CC2)cc1.
What is the InChIKey of (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide?
The InChIKey is RUUJMMPJSRCOPU-UWVJOHFNSA-N. The full InChI is InChI=1S/C22H33NO4SSi/c1-16-10-14-18(15-11-16)28(26,27)23-21(25)19(17-12-13-17)8-7-9-20(24)29(5,6)22(2,3)4/h8,10-11,14-15,17H,7,9,12-13H2,1-6H3,(H,23,25)/b19-8-.
What are the key properties of (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide?
(Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide has a molecular weight of 435.66 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[tert-butyl(dimethyl)silyl]-2-cyclopropyl-N-(4-methylphenyl)sulfonyl-6-oxohex-2-enamide is sourced from PubChem (CID 138965231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).