[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

C16H24N2O6S — CID 7973340

IUPAC[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCCCCNC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O6S/c1-5-6-9-17-15(19)11-24-16(20)12-7-8-13(23-4)14(10-12)25(21,22)18(2)3/h7-8,10H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyJYOXCNXYKGLCNO-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.02
Rot. Bonds9

About [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (PubChem CID 7973340) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
PubChem CID7973340
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCCCCNC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O6S/c1-5-6-9-17-15(19)11-24-16(20)12-7-8-13(23-4)14(10-12)25(21,22)18(2)3/h7-8,10H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyJYOXCNXYKGLCNO-UHFFFAOYSA-N
XLogP1.02
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973353
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 46607894
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
[2-(3-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973554
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973553
[2-(3-fluoroanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973222
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 94448571
(4-tert-butylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973287
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42965162
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (CID 7973340) is [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is CCCCNC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is JYOXCNXYKGLCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-5-6-9-17-15(19)11-24-16(20)12-7-8-13(23-4)14(10-12)25(21,22)18(2)3/h7-8,10H,5-6,9,11H2,1-4H3,(H,17,19).
What are the key properties of [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 372.44 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 7973340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).