propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate

C20H24N2O6S — CID 88808204

IUPACpropan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate
SMILESCC(=O)N(CCc1ccc(S(=O)(=O)NC(=O)OC(C)C)cc1)Oc1ccccc1
InChIInChI=1S/C20H24N2O6S/c1-15(2)27-20(24)21-29(25,26)19-11-9-17(10-12-19)13-14-22(16(3)23)28-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,21,24)
InChIKeyVHGMQGSOZHAFFP-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.89
Rot. Bonds8

About propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate

propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate (PubChem CID 88808204) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate
PubChem CID88808204
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Namepropan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate
SMILESCC(=O)N(CCc1ccc(S(=O)(=O)NC(=O)OC(C)C)cc1)Oc1ccccc1
InChIInChI=1S/C20H24N2O6S/c1-15(2)27-20(24)21-29(25,26)19-11-9-17(10-12-19)13-14-22(16(3)23)28-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,21,24)
InChIKeyVHGMQGSOZHAFFP-UHFFFAOYSA-N
XLogP2.89
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
CID 70622668
propan-2-yl N-[4-[2-[(2-prop-2-enoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
CID 70623147
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate
CID 102001467
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
methyl N-(benzenesulfonyl)carbamate
CID 676519
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
phenyl N-(4-tert-butylphenyl)sulfonylcarbamate
CID 134553479
N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
CID 139754173
1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 110192023
CID 67966725
CID 67966725
N-[2-(benzenesulfonamido)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056293

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate (CID 88808204) is propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate is CC(=O)N(CCc1ccc(S(=O)(=O)NC(=O)OC(C)C)cc1)Oc1ccccc1.
What is the InChIKey of propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate?
The InChIKey is VHGMQGSOZHAFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-15(2)27-20(24)21-29(25,26)19-11-9-17(10-12-19)13-14-22(16(3)23)28-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,21,24).
What are the key properties of propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate?
propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate has a molecular weight of 420.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[2-[acetyl(phenoxy)amino]ethyl]phenyl]sulfonylcarbamate is sourced from PubChem (CID 88808204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).