[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate

C20H26N2O5S — CID 30974212

IUPAC[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)c1
InChIInChI=1S/C20H26N2O5S/c1-2-21-28(25,26)18-10-6-7-15(13-18)20(24)27-14-19(23)22(17-11-12-17)16-8-4-3-5-9-16/h6-8,10,13,17,21H,2-5,9,11-12,14H2,1H3
InChIKeyJWSLQMIXIDMAET-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.59
Rot. Bonds8

About [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate (PubChem CID 30974212) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
PubChem CID30974212
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)c1
InChIInChI=1S/C20H26N2O5S/c1-2-21-28(25,26)18-10-6-7-15(13-18)20(24)27-14-19(23)22(17-11-12-17)16-8-4-3-5-9-16/h6-8,10,13,17,21H,2-5,9,11-12,14H2,1H3
InChIKeyJWSLQMIXIDMAET-UHFFFAOYSA-N
XLogP2.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 18193487
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 35723963
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 18138750
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18193790
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate
CID 8569168
[2-(dicyclohexylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 3915841
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 75401976
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
CID 42900495
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 27201338
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 42987140
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 55312971
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506165

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate?
The IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate (CID 30974212) is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate?
The canonical SMILES for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)c1.
What is the InChIKey of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate?
The InChIKey is JWSLQMIXIDMAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-2-21-28(25,26)18-10-6-7-15(13-18)20(24)27-14-19(23)22(17-11-12-17)16-8-4-3-5-9-16/h6-8,10,13,17,21H,2-5,9,11-12,14H2,1H3.
What are the key properties of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate?
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate has a molecular weight of 406.50 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 30974212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).