ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate

C21H26N2O6S — CID 2949620

IUPACethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C21H26N2O6S/c1-4-15(3)23-30(26,27)19-12-10-18(11-13-19)29-14-20(24)22-17-8-6-16(7-9-17)21(25)28-5-2/h6-13,15,23H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyVJQGOBNEODUFJO-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.96
Rot. Bonds10

About ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate

ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate (PubChem CID 2949620) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
PubChem CID2949620
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Nameethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C21H26N2O6S/c1-4-15(3)23-30(26,27)19-12-10-18(11-13-19)29-14-20(24)22-17-8-6-16(7-9-17)21(25)28-5-2/h6-13,15,23H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyVJQGOBNEODUFJO-UHFFFAOYSA-N
XLogP2.96
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[(2-phenoxypropanoyl)amino]benzoate
CID 2867477
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
(1-Anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4853782
Ethyl 4-{[(2-methoxyphenoxy)acetyl]amino}benzoate
CID 661259
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
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
Ethyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-(4-ethoxyphenyl)propanoate
CID 3243338
3-[(4-Phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2999387
ethyl 4-[3-(N-(4-fluorophenyl)sulfonyl-3-phenoxyanilino)propanoylamino]benzoate
CID 126695273
4-[(2-Phenoxyacetyl)amino]benzoic acid
CID 309569

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate (CID 2949620) is ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is VJQGOBNEODUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-4-15(3)23-30(26,27)19-12-10-18(11-13-19)29-14-20(24)22-17-8-6-16(7-9-17)21(25)28-5-2/h6-13,15,23H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate?
ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 434.51 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(butan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 2949620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).