[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate

C17H22N2O6S — CID 55320891

IUPAC[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(=O)C1CCCCC1
InChIInChI=1S/C17H22N2O6S/c1-11-7-8-13(26(18,23)24)9-14(11)17(22)25-10-15(20)19-16(21)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H2,18,23,24)(H,19,20,21)
InChIKeyGDHLHKFNKBEHMD-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.02
Rot. Bonds5

About [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate (PubChem CID 55320891) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
PubChem CID55320891
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(=O)C1CCCCC1
InChIInChI=1S/C17H22N2O6S/c1-11-7-8-13(26(18,23)24)9-14(11)17(22)25-10-15(20)19-16(21)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H2,18,23,24)(H,19,20,21)
InChIKeyGDHLHKFNKBEHMD-UHFFFAOYSA-N
XLogP1.02
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 55311991
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 43033083
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518395
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994086
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 46792804
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate
CID 55525907
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methyl-5-sulfamoylbenzoate
CID 46792872
[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902029
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
CID 42985631

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate (CID 55320891) is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The canonical SMILES for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate is Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(=O)C1CCCCC1.
What is the InChIKey of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The InChIKey is GDHLHKFNKBEHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-11-7-8-13(26(18,23)24)9-14(11)17(22)25-10-15(20)19-16(21)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H2,18,23,24)(H,19,20,21).
What are the key properties of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate has a molecular weight of 382.44 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate is sourced from PubChem (CID 55320891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).