methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate

C19H22N2O7S — CID 56543378

IUPACmethyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c1O
InChIInChI=1S/C19H22N2O7S/c1-11(2)21-29(25,26)16-10-12(8-9-15(16)27-3)18(23)20-14-7-5-6-13(17(14)22)19(24)28-4/h5-11,21-22H,1-4H3,(H,20,23)
InChIKeyMOACGYVBAYEKNQ-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.13
Rot. Bonds7

About methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate

methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 56543378) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate
PubChem CID56543378
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Namemethyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c1O
InChIInChI=1S/C19H22N2O7S/c1-11(2)21-29(25,26)16-10-12(8-9-15(16)27-3)18(23)20-14-7-5-6-13(17(14)22)19(24)28-4/h5-11,21-22H,1-4H3,(H,20,23)
InChIKeyMOACGYVBAYEKNQ-UHFFFAOYSA-N
XLogP2.13
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate with MolForge

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Related Compounds

4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55888443
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557646
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 27663032

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate (CID 56543378) is methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is MOACGYVBAYEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-11(2)21-29(25,26)16-10-12(8-9-15(16)27-3)18(23)20-14-7-5-6-13(17(14)22)19(24)28-4/h5-11,21-22H,1-4H3,(H,20,23).
What are the key properties of methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate?
methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 422.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 56543378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).