methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate

C24H24N2O6S — CID 68579485

IUPACmethyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
SMILESCCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)OC)cc2)cc1
InChIInChI=1S/C24H24N2O6S/c1-3-32-19-12-8-17(9-13-19)16-23(27)25-18-10-14-20(15-11-18)33(29,30)26-22-7-5-4-6-21(22)24(28)31-2/h4-15,26H,3,16H2,1-2H3,(H,25,27)
InChIKeyVXZKPVHGVWNZNS-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.85
Rot. Bonds9

About methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate

methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate (PubChem CID 68579485) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
PubChem CID68579485
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Namemethyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
SMILESCCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)OC)cc2)cc1
InChIInChI=1S/C24H24N2O6S/c1-3-32-19-12-8-17(9-13-19)16-23(27)25-18-10-14-20(15-11-18)33(29,30)26-22-7-5-4-6-21(22)24(28)31-2/h4-15,26H,3,16H2,1-2H3,(H,25,27)
InChIKeyVXZKPVHGVWNZNS-UHFFFAOYSA-N
XLogP3.85
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 3573663
methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3308515
2-(4-methoxyphenyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 38011386
methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667
2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 4060518
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16527095

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate?
The IUPAC name of methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate (CID 68579485) is methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate is CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate?
The InChIKey is VXZKPVHGVWNZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-3-32-19-12-8-17(9-13-19)16-23(27)25-18-10-14-20(15-11-18)33(29,30)26-22-7-5-4-6-21(22)24(28)31-2/h4-15,26H,3,16H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate?
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate has a molecular weight of 468.53 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 68579485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).