[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate

C17H24N2O5S — CID 7902029

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NC2CC2)c1
InChIInChI=1S/C17H24N2O5S/c1-4-19(5-2)25(22,23)14-9-6-12(3)15(10-14)17(21)24-11-16(20)18-13-7-8-13/h6,9-10,13H,4-5,7-8,11H2,1-3H3,(H,18,20)
InChIKeyIMCFZIOGDCBJOA-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.46
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate

[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate (PubChem CID 7902029) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
PubChem CID7902029
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NC2CC2)c1
InChIInChI=1S/C17H24N2O5S/c1-4-19(5-2)25(22,23)14-9-6-12(3)15(10-14)17(21)24-11-16(20)18-13-7-8-13/h6,9-10,13H,4-5,7-8,11H2,1-3H3,(H,18,20)
InChIKeyIMCFZIOGDCBJOA-UHFFFAOYSA-N
XLogP1.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 42970985
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55320330
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230116
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519907
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521793
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902012
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976303
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902053
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679679
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510081
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484569

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate (CID 7902029) is [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NC2CC2)c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate?
The InChIKey is IMCFZIOGDCBJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-4-19(5-2)25(22,23)14-9-6-12(3)15(10-14)17(21)24-11-16(20)18-13-7-8-13/h6,9-10,13H,4-5,7-8,11H2,1-3H3,(H,18,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate has a molecular weight of 368.46 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 7902029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).