methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate

C20H24N2O6S — CID 2230108

IUPACmethyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C
InChIInChI=1S/C20H24N2O6S/c1-13(2)22-29(25,26)15-9-10-18(14(3)11-15)28-12-19(23)21-17-8-6-5-7-16(17)20(24)27-4/h5-11,13,22H,12H2,1-4H3,(H,21,23)
InChIKeyVLVLAUTYESEIBC-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.49
Rot. Bonds8

About methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate

methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate (PubChem CID 2230108) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
PubChem CID2230108
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Namemethyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C
InChIInChI=1S/C20H24N2O6S/c1-13(2)22-29(25,26)15-9-10-18(14(3)11-15)28-12-19(23)21-17-8-6-5-7-16(17)20(24)27-4/h5-11,13,22H,12H2,1-4H3,(H,21,23)
InChIKeyVLVLAUTYESEIBC-UHFFFAOYSA-N
XLogP2.49
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395885
N-(4-methoxyphenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 3961591
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395881
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126150965
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126392203
2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 28566038
N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2227366
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2975724
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate (CID 2230108) is methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C.
What is the InChIKey of methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is VLVLAUTYESEIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-13(2)22-29(25,26)15-9-10-18(14(3)11-15)28-12-19(23)21-17-8-6-5-7-16(17)20(24)27-4/h5-11,13,22H,12H2,1-4H3,(H,21,23).
What are the key properties of methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 420.49 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 2230108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).