[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate

C16H24N2O5S — CID 55401208

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-6-17-24(21,22)13-8-7-12(4)14(9-13)16(20)23-10-15(19)18(5)11(2)3/h7-9,11,17H,6,10H2,1-5H3
InChIKeyMOMDSZVQWFYLMI-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.32
Rot. Bonds7

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate (PubChem CID 55401208) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
PubChem CID55401208
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-6-17-24(21,22)13-8-7-12(4)14(9-13)16(20)23-10-15(19)18(5)11(2)3/h7-9,11,17H,6,10H2,1-5H3
InChIKeyMOMDSZVQWFYLMI-UHFFFAOYSA-N
XLogP1.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]acetic acid
CID 120968641
(2S)-2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]propanoic acid
CID 120968715
(2R)-2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]propanoic acid
CID 120968800
[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 31866861
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706272
N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride
CID 119657782
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate
CID 55730896
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate
CID 8632755
5-[2-(dimethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 60748903

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate (CID 55401208) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate is CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N(C)C(C)C)c1.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate?
The InChIKey is MOMDSZVQWFYLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-6-17-24(21,22)13-8-7-12(4)14(9-13)16(20)23-10-15(19)18(5)11(2)3/h7-9,11,17H,6,10H2,1-5H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate has a molecular weight of 356.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 55401208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).