[benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate

C14H20N2O6S — CID 10472666

IUPAC[benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate
SMILESCCOC(=O)N(OC(=O)N(CC)CC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O6S/c1-4-15(5-2)13(17)22-16(14(18)21-6-3)23(19,20)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyLEQFLKRJHTWBOZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.23
Rot. Bonds5

About [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate

[benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate (PubChem CID 10472666) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate.

Molecular Properties

Compound Name[benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate
PubChem CID10472666
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name[benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate
SMILESCCOC(=O)N(OC(=O)N(CC)CC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O6S/c1-4-15(5-2)13(17)22-16(14(18)21-6-3)23(19,20)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyLEQFLKRJHTWBOZ-UHFFFAOYSA-N
XLogP2.23
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 655915
Ethyl 4-[(phenylsulfonyl)amino]piperidine-1-carboxylate
CID 2815497
ethyl 4-{N-[(4-fluorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
CID 1085407
Carbamic acid, N-ethyl-N-(o-tolylsulfonyl)-, ethyl ester
CID 47210
Methyl 4-[(4-fluorophenyl)sulfonyl]-1-piperazinecarboxylate
CID 1245368
Ethyl 4-(phenylsulfonyl)piperazine-1-carboxylate
CID 737564
tert-Butyl (benzenesulfonyl)(2-methylpropyl)carbamate
CID 16218340
Ethyl 4-{[3-(methylsulfonyl)phenyl]sulfonyl}piperazinecarboxylate
CID 7424857
Butyl 4-((2,6 difluoro-phenyl)-sulfonyl)piperazine-1-carboxylate
CID 131748068
1,1,1-Trifluoropropan-2-yl 4-(benzenesulfonyl)piperazine-1-carboxylate
CID 135248762
ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate
CID 172740566
3-(Benzenesulfonyl)-1,3-oxazolidin-2-one
CID 4438824

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate?
The IUPAC name of [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate (CID 10472666) is [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate.
What is the SMILES notation for [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate?
The canonical SMILES for [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate is CCOC(=O)N(OC(=O)N(CC)CC)S(=O)(=O)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate?
The InChIKey is LEQFLKRJHTWBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-4-15(5-2)13(17)22-16(14(18)21-6-3)23(19,20)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate?
[benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate has a molecular weight of 344.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(ethoxycarbonyl)amino] N,N-diethylcarbamate is sourced from PubChem (CID 10472666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).