2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C15H19NO5S — CID 9380316

IUPAC2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESC=C(C)COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H19NO5S/c1-10(2)9-21-15(17)11-4-7-13(20-3)14(8-11)22(18,19)16-12-5-6-12/h4,7-8,12,16H,1,5-6,9H2,2-3H3
InChIKeyFLFQKCDMTYUUMJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.87
Rot. Bonds7

About 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 9380316) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID9380316
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Name2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESC=C(C)COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H19NO5S/c1-10(2)9-21-15(17)11-4-7-13(20-3)14(8-11)22(18,19)16-12-5-6-12/h4,7-8,12,16H,1,5-6,9H2,2-3H3
InChIKeyFLFQKCDMTYUUMJ-UHFFFAOYSA-N
XLogP1.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
[2-(1-adamantyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702712
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519345
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702678
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519331
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551
[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
2-(4-cyanophenoxy)ethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702853
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 9380316) is 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is C=C(C)COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is FLFQKCDMTYUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-10(2)9-21-15(17)11-4-7-13(20-3)14(8-11)22(18,19)16-12-5-6-12/h4,7-8,12,16H,1,5-6,9H2,2-3H3.
What are the key properties of 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 325.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 9380316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).