[(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate

C22H26N2O8S2 — CID 101177082

IUPAC[(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OC/C=C\C(C)(C)OC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H26N2O8S2/c1-16-6-10-18(11-7-16)33(27,28)23-20(25)31-15-5-14-22(3,4)32-21(26)24-34(29,30)19-12-8-17(2)9-13-19/h5-14H,15H2,1-4H3,(H,23,25)(H,24,26)/b14-5-
InChIKeyRPYAZWROOXUXDL-RZNTYIFUSA-N
MW510.59 g/mol
LogP3.17
Rot. Bonds8

About [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate

[(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 101177082) has the molecular formula C22H26N2O8S2 and a molecular weight of 510.59 g/mol. Its IUPAC name is [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name[(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
PubChem CID101177082
Molecular FormulaC22H26N2O8S2
Molecular Weight510.59 g/mol
Exact Mass510.11
IUPAC Name[(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OC/C=C\C(C)(C)OC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H26N2O8S2/c1-16-6-10-18(11-7-16)33(27,28)23-20(25)31-15-5-14-22(3,4)32-21(26)24-34(29,30)19-12-8-17(2)9-13-19/h5-14H,15H2,1-4H3,(H,23,25)(H,24,26)/b14-5-
InChIKeyRPYAZWROOXUXDL-RZNTYIFUSA-N
XLogP3.17
TPSA144.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
2,2,4,4,5-pentamethylhexyl N-(4-methylphenyl)sulfonylcarbamate
CID 169235724
[(Z)-4-[(4-fluorophenyl)sulfonylcarbamoyloxy]but-2-enyl] acetate
CID 102021540
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
2-cyanoethyl N-(4-methylphenyl)sulfonylcarbamate
CID 101122672
2,3-dimethylhexa-4,5-dien-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 15186598
5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate
CID 101084497
1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 110192023
(4-methylphenyl)sulfonylurea;urea
CID 160676948
tert-butyl N-(4-formylphenyl)sulfonylcarbamate
CID 146669883
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
[(1R,4S)-4-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclohex-2-en-1-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 11005717

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate (CID 101177082) is [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)NC(=O)OC/C=C\C(C)(C)OC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is RPYAZWROOXUXDL-RZNTYIFUSA-N. The full InChI is InChI=1S/C22H26N2O8S2/c1-16-6-10-18(11-7-16)33(27,28)23-20(25)31-15-5-14-22(3,4)32-21(26)24-34(29,30)19-12-8-17(2)9-13-19/h5-14H,15H2,1-4H3,(H,23,25)(H,24,26)/b14-5-.
What are the key properties of [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate?
[(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 510.59 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 101177082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).