[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C18H24N2O5S — CID 18193487

IUPAC[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCCN(C(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1)C1=CCCCC1
InChIInChI=1S/C18H24N2O5S/c1-3-20(15-9-5-4-6-10-15)17(21)13-25-18(22)14-8-7-11-16(12-14)26(23,24)19-2/h7-9,11-12,19H,3-6,10,13H2,1-2H3
InChIKeySLOIBSXDSSULOZ-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.06
Rot. Bonds7

About [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 18193487) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID18193487
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCCN(C(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1)C1=CCCCC1
InChIInChI=1S/C18H24N2O5S/c1-3-20(15-9-5-4-6-10-15)17(21)13-25-18(22)14-8-7-11-16(12-14)26(23,24)19-2/h7-9,11-12,19H,3-6,10,13H2,1-2H3
InChIKeySLOIBSXDSSULOZ-UHFFFAOYSA-N
XLogP2.06
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18193790
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 18138750
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 30974212
[2-(dicyclohexylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 3915841
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18193721
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 18195679
[2-(N-ethylanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623656
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16560413
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 4314034
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18193445
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2417052
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 7854764

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 18193487) is [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1)C1=CCCCC1.
What is the InChIKey of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is SLOIBSXDSSULOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-3-20(15-9-5-4-6-10-15)17(21)13-25-18(22)14-8-7-11-16(12-14)26(23,24)19-2/h7-9,11-12,19H,3-6,10,13H2,1-2H3.
What are the key properties of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 380.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 18193487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).