5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate

C19H21NO4S — CID 102001467

IUPAC5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate
SMILESC=CC(CCc1ccccc1)OC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4S/c1-3-17(12-11-16-7-5-4-6-8-16)24-19(21)20-25(22,23)18-13-9-15(2)10-14-18/h3-10,13-14,17H,1,11-12H2,2H3,(H,20,21)
InChIKeyVHSNVZOXJJEIOO-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.60
Rot. Bonds7

About 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate

5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 102001467) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate
PubChem CID102001467
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate
SMILESC=CC(CCc1ccccc1)OC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4S/c1-3-17(12-11-16-7-5-4-6-8-16)24-19(21)20-25(22,23)18-13-9-15(2)10-14-18/h3-10,13-14,17H,1,11-12H2,2H3,(H,20,21)
InChIKeyVHSNVZOXJJEIOO-UHFFFAOYSA-N
XLogP3.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-phenylpent-1-en-3-yl 2-bromopropanoate
CID 139257461
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
(1-oxo-4-phenylbutan-2-yl) 4-methylbenzenesulfonate
CID 11782120
5-phenylpent-1-en-3-yl 2-iodoacetate
CID 132521058
[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate
CID 54578575
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
[2-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylethyl] N-(4-methylphenyl)sulfonylcarbamate
CID 2813116
ethyl 2-ethylidene-3-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoate
CID 156772253
1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 110192023
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383

Frequently Asked Questions

What is the IUPAC name of 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate (CID 102001467) is 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate is C=CC(CCc1ccccc1)OC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is VHSNVZOXJJEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-3-17(12-11-16-7-5-4-6-8-16)24-19(21)20-25(22,23)18-13-9-15(2)10-14-18/h3-10,13-14,17H,1,11-12H2,2H3,(H,20,21).
What are the key properties of 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate?
5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 359.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 102001467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).