tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate

C21H25NO4S — CID 102356550

IUPACtert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate
SMILESC=CCc1ccccc1N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H25NO4S/c1-6-9-17-10-7-8-11-19(17)22(20(23)26-21(3,4)5)27(24,25)18-14-12-16(2)13-15-18/h6-8,10-15H,1,9H2,2-5H3
InChIKeyCWFPXVJZPVPPLU-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.85
Rot. Bonds5

About tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate

tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate (PubChem CID 102356550) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate
PubChem CID102356550
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Nametert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate
SMILESC=CCc1ccccc1N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H25NO4S/c1-6-9-17-10-7-8-11-19(17)22(20(23)26-21(3,4)5)27(24,25)18-14-12-16(2)13-15-18/h6-8,10-15H,1,9H2,2-5H3
InChIKeyCWFPXVJZPVPPLU-UHFFFAOYSA-N
XLogP4.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-cyano-N-(2-prop-2-enylphenyl)carbamate
CID 102140638
N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate
CID 146162056
tert-butyl N-isoquinolin-4-yl-N-(4-methylphenyl)sulfonylcarbamate;tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-oxidoisoquinolin-2-ium-4-yl)carbamate
CID 158082777
tert-butyl N-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-methylphenyl)sulfonylcarbamate
CID 160689143
tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate
CID 11089738
tert-butyl N-(3,3-dimethylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 177466380
tert-butyl N-[[2-[bis(benzenesulfonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 25180911
tert-butyl N-(3-methylbut-3-enyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 15548420
tert-butyl N-(4-methylphenyl)sulfonyl-N-(7-oxospiro[2.4]hept-5-en-6-yl)carbamate
CID 11188083
tert-butyl N-(3-bromophenyl)sulfonyl-N-(4-methylphenyl)carbamate
CID 67189391
tert-butyl N-[(4-methylphenyl)sulfonylcarbamoyl]-N-(1-phenylbut-3-enyl)carbamate
CID 102342111
tert-butyl N-[[benzyl-(4-methylphenyl)sulfonylcarbamoyl]-methylamino]-N-ethylcarbamate
CID 11812570

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate (CID 102356550) is tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate is C=CCc1ccccc1N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate?
The InChIKey is CWFPXVJZPVPPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-6-9-17-10-7-8-11-19(17)22(20(23)26-21(3,4)5)27(24,25)18-14-12-16(2)13-15-18/h6-8,10-15H,1,9H2,2-5H3.
What are the key properties of tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate?
tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate has a molecular weight of 387.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate is sourced from PubChem (CID 102356550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).