[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate

C18H26N2O5S — CID 32571002

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N(C)C2CCC(C)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C18H26N2O5S/c1-12-4-8-15(9-5-12)20(3)17(21)11-25-18(22)14-7-6-13(2)16(10-14)26(19,23)24/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3,(H2,19,23,24)
InChIKeyXCRYTMRMUKZFNR-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.84
Rot. Bonds5

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate (PubChem CID 32571002) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
PubChem CID32571002
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N(C)C2CCC(C)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C18H26N2O5S/c1-12-4-8-15(9-5-12)20(3)17(21)11-25-18(22)14-7-6-13(2)16(10-14)26(19,23)24/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3,(H2,19,23,24)
InChIKeyXCRYTMRMUKZFNR-UHFFFAOYSA-N
XLogP1.84
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722080
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55372467
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 36753714
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 47485540
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate
CID 8568938
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 5134968
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
(2-methylcyclohexyl) 4-methyl-3-sulfamoylbenzoate
CID 65380249
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24518982
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 4877834
2-methylpropyl 4-methyl-3-sulfamoylbenzoate
CID 60730483
oxan-2-ylmethyl 4-methyl-3-sulfamoylbenzoate
CID 60730484

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate (CID 32571002) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate is Cc1ccc(C(=O)OCC(=O)N(C)C2CCC(C)CC2)cc1S(N)(=O)=O.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate?
The InChIKey is XCRYTMRMUKZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-12-4-8-15(9-5-12)20(3)17(21)11-25-18(22)14-7-6-13(2)16(10-14)26(19,23)24/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3,(H2,19,23,24).
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate has a molecular weight of 382.48 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate is sourced from PubChem (CID 32571002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).