ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate

C21H26N2O6S — CID 58292284

IUPACethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC(C)=O)CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1
InChIInChI=1S/C21H26N2O6S/c1-3-29-20(25)21(12-15(2)24)10-8-17(9-11-21)23-30(26,27)18-6-4-16(5-7-18)19-13-28-14-22-19/h4-7,13-14,17,23H,3,8-12H2,1-2H3
InChIKeyIZJXXEFGZFYEBB-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.09
Rot. Bonds8

About ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate

ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate (PubChem CID 58292284) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate
PubChem CID58292284
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Nameethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC(C)=O)CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1
InChIInChI=1S/C21H26N2O6S/c1-3-29-20(25)21(12-15(2)24)10-8-17(9-11-21)23-30(26,27)18-6-4-16(5-7-18)19-13-28-14-22-19/h4-7,13-14,17,23H,3,8-12H2,1-2H3
InChIKeyIZJXXEFGZFYEBB-UHFFFAOYSA-N
XLogP3.09
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-prop-2-enylcyclohexane-1-carboxylate
CID 58291882
1-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 58291865
4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide
CID 71290294
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 55380270
methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylsulfamoyl)benzoate
CID 47065116
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 84556985

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate (CID 58292284) is ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate is CCOC(=O)C1(CC(C)=O)CCC(NS(=O)(=O)c2ccc(-c3cocn3)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate?
The InChIKey is IZJXXEFGZFYEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-3-29-20(25)21(12-15(2)24)10-8-17(9-11-21)23-30(26,27)18-6-4-16(5-7-18)19-13-28-14-22-19/h4-7,13-14,17,23H,3,8-12H2,1-2H3.
What are the key properties of ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate?
ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate has a molecular weight of 434.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(1,3-oxazol-4-yl)phenyl]sulfonylamino]-1-(2-oxopropyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 58292284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).