ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate

C18H26N2O5S — CID 55969208

IUPACethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCCC1
InChIInChI=1S/C18H26N2O5S/c1-4-25-17(22)18(11-6-5-7-12-18)19-16(21)14-9-8-10-15(13-14)26(23,24)20(2)3/h8-10,13H,4-7,11-12H2,1-3H3,(H,19,21)
InChIKeyBTMXJTSCSIUQPA-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.93
Rot. Bonds6

About ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 55969208) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate
PubChem CID55969208
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Nameethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCCC1
InChIInChI=1S/C18H26N2O5S/c1-4-25-17(22)18(11-6-5-7-12-18)19-16(21)14-9-8-10-15(13-14)26(23,24)20(2)3/h8-10,13H,4-7,11-12H2,1-3H3,(H,19,21)
InChIKeyBTMXJTSCSIUQPA-UHFFFAOYSA-N
XLogP1.93
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
CID 55768153
ethyl 1-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexane-1-carboxylate
CID 55993738
methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55572752
ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate
CID 55969332
ethyl 1-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]cyclohexane-1-carboxylate
CID 55968191
ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate
CID 55969090
ethyl 4-[[3-(dimethylsulfamoyl)benzoyl]carbamothioyl]piperazine-1-carboxylate
CID 5194152
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate
CID 55969219
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate (CID 55969208) is ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCCC1.
What is the InChIKey of ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is BTMXJTSCSIUQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-4-25-17(22)18(11-6-5-7-12-18)19-16(21)14-9-8-10-15(13-14)26(23,24)20(2)3/h8-10,13H,4-7,11-12H2,1-3H3,(H,19,21).
What are the key properties of ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate?
ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 382.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55969208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).