ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate

C18H25FN2O5S — CID 55969219

IUPACethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NC2(C(=O)OCC)CCCCC2)c1
InChIInChI=1S/C18H25FN2O5S/c1-3-20-27(24,25)13-8-9-15(19)14(12-13)16(22)21-18(17(23)26-4-2)10-6-5-7-11-18/h8-9,12,20H,3-7,10-11H2,1-2H3,(H,21,22)
InChIKeyXAEARFVXZSRKET-UHFFFAOYSA-N
MW400.47 g/mol
LogP2.12
Rot. Bonds7

About ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 55969219) has the molecular formula C18H25FN2O5S and a molecular weight of 400.47 g/mol. Its IUPAC name is ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate
PubChem CID55969219
Molecular FormulaC18H25FN2O5S
Molecular Weight400.47 g/mol
Exact Mass400.15
IUPAC Nameethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NC2(C(=O)OCC)CCCCC2)c1
InChIInChI=1S/C18H25FN2O5S/c1-3-20-27(24,25)13-8-9-15(19)14(12-13)16(22)21-18(17(23)26-4-2)10-6-5-7-11-18/h8-9,12,20H,3-7,10-11H2,1-2H3,(H,21,22)
InChIKeyXAEARFVXZSRKET-UHFFFAOYSA-N
XLogP2.12
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate
CID 55969080
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 48532285
N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87017525
ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 55969208
5-(ethylsulfamoyl)-2-fluoro-N-[(1R,3S,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]benzamide
CID 97335661
N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide
CID 154838797
ethyl 1-[(4-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 60539774
ethyl 1-[[3-(tert-butylsulfamoyl)-4-methoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 55768220
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]ethenyl (Z)-N-aminocyclopentanecarboximidothioate
CID 89269365

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate (CID 55969219) is ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate is CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2(C(=O)OCC)CCCCC2)c1.
What is the InChIKey of ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is XAEARFVXZSRKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O5S/c1-3-20-27(24,25)13-8-9-15(19)14(12-13)16(22)21-18(17(23)26-4-2)10-6-5-7-11-18/h8-9,12,20H,3-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate?
ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 400.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55969219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).