[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C16H22N2O6S — CID 7519308

IUPAC[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCCCNC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H22N2O6S/c1-3-8-17-15(19)10-24-16(20)11-4-7-13(23-2)14(9-11)25(21,22)18-12-5-6-12/h4,7,9,12,18H,3,5-6,8,10H2,1-2H3,(H,17,19)
InChIKeyDUXCUQKHRPPVHF-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.82
Rot. Bonds9

About [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 7519308) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID7519308
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCCCNC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H22N2O6S/c1-3-8-17-15(19)10-24-16(20)11-4-7-13(23-2)14(9-11)25(21,22)18-12-5-6-12/h4,7,9,12,18H,3,5-6,8,10H2,1-2H3,(H,17,19)
InChIKeyDUXCUQKHRPPVHF-UHFFFAOYSA-N
XLogP0.82
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702678
[2-oxo-2-(propylamino)ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973353
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519331
[2-(1-adamantyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702712
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519345
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 55404094
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 16560992
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551
[2-(butylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 30810938
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 55379667
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 7519308) is [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is CCCNC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is DUXCUQKHRPPVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-3-8-17-15(19)10-24-16(20)11-4-7-13(23-2)14(9-11)25(21,22)18-12-5-6-12/h4,7,9,12,18H,3,5-6,8,10H2,1-2H3,(H,17,19).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 370.43 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 7519308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).