methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate

C21H26N2O6S — CID 55915344

IUPACmethyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)OC)cc2C)cc1
InChIInChI=1S/C21H26N2O6S/c1-5-15(3)23-30(26,27)18-9-6-16(7-10-18)21(25)22-19-11-8-17(12-14(19)2)29-13-20(24)28-4/h6-12,15,23H,5,13H2,1-4H3,(H,22,25)
InChIKeyXPRUAYYYHIRRNL-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.88
Rot. Bonds9

About methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate

methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate (PubChem CID 55915344) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate
PubChem CID55915344
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Namemethyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)OC)cc2C)cc1
InChIInChI=1S/C21H26N2O6S/c1-5-15(3)23-30(26,27)18-9-6-16(7-10-18)21(25)22-19-11-8-17(12-14(19)2)29-13-20(24)28-4/h6-12,15,23H,5,13H2,1-4H3,(H,22,25)
InChIKeyXPRUAYYYHIRRNL-UHFFFAOYSA-N
XLogP2.88
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[(4-bromobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916233
methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate
CID 55916883
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate
CID 55916624
methyl 2-[4-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylphenoxy]acetate
CID 55916102
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
4-(ethylsulfamoyl)-N-(2-methyl-4-phenylmethoxyphenyl)benzamide
CID 86966171
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 46575308
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate (CID 55915344) is methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)OC)cc2C)cc1.
What is the InChIKey of methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate?
The InChIKey is XPRUAYYYHIRRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-5-15(3)23-30(26,27)18-9-6-16(7-10-18)21(25)22-19-11-8-17(12-14(19)2)29-13-20(24)28-4/h6-12,15,23H,5,13H2,1-4H3,(H,22,25).
What are the key properties of methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate?
methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate has a molecular weight of 434.51 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate is sourced from PubChem (CID 55915344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).