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

C19H22N2O6S — CID 1319369

IUPACmethyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C19H22N2O6S/c1-13(2)21-28(24,25)15-10-8-14(9-11-15)27-12-18(22)20-17-7-5-4-6-16(17)19(23)26-3/h4-11,13,21H,12H2,1-3H3,(H,20,22)
InChIKeyFIZWIVDKBDSMIN-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.18
Rot. Bonds8

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

methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate (PubChem CID 1319369) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
PubChem CID1319369
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namemethyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C19H22N2O6S/c1-13(2)21-28(24,25)15-10-8-14(9-11-15)27-12-18(22)20-17-7-5-4-6-16(17)19(23)26-3/h4-11,13,21H,12H2,1-3H3,(H,20,22)
InChIKeyFIZWIVDKBDSMIN-UHFFFAOYSA-N
XLogP2.18
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Sivelestat
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Sivelestat Sodium
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sivelestat sodium anhydrous
CID 23664980
Sulfonamide-01
CID 11532283
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
(1-Anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
N-cyclopropyl-2-[(2-phenoxyacetyl)amino]benzamide
CID 8700142
N-(2-ethoxyphenyl)-2-[(methylsulfonyl)amino]benzamide
CID 838665
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate (CID 1319369) is methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is FIZWIVDKBDSMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13(2)21-28(24,25)15-10-8-14(9-11-15)27-12-18(22)20-17-7-5-4-6-16(17)19(23)26-3/h4-11,13,21H,12H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 406.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 1319369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).