[2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate

C15H20N2O5S — CID 3359578

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H20N2O5S/c16-23(20,21)13-8-4-7-12(9-13)17-14(18)10-22-15(19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,17,18)(H2,16,20,21)
InChIKeyNSOAODIQOOUSIP-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.40
Rot. Bonds5

About [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate (PubChem CID 3359578) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
PubChem CID3359578
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H20N2O5S/c16-23(20,21)13-8-4-7-12(9-13)17-14(18)10-22-15(19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,17,18)(H2,16,20,21)
InChIKeyNSOAODIQOOUSIP-UHFFFAOYSA-N
XLogP1.40
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-((4-Acetamidophenyl)sulfonamido)cyclohexane-1-carboxylic acid
CID 788631
4-cyclohexyl-N-(3-sulfamoylphenyl)butanamide
CID 3919954
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
ethyl (1S,3R)-3-({[4-(acetylamino)phenyl]sulfonyl}amino)cyclohexanecarboxylate
CID 657995
3-(4-Acetylamino-benzenesulfonylamino)-cyclohexanecarboxylic acid ethyl ester
CID 3112773
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 3976510
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-(Cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4305442
[2-[2-Chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 4414784
2-{[4-(Aminosulfonyl)phenyl]amino}-2-oxoethyl adamantane-1-carboxylate
CID 4560537

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate (CID 3359578) is [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate?
The InChIKey is NSOAODIQOOUSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c16-23(20,21)13-8-4-7-12(9-13)17-14(18)10-22-15(19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,17,18)(H2,16,20,21).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate has a molecular weight of 340.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate is sourced from PubChem (CID 3359578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).