[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate

C22H25NO6S — CID 55311586

IUPAC[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C22H25NO6S/c1-4-16-6-7-17(5-2)20(12-16)21(25)14-29-22(26)13-23-30(27,28)19-10-8-18(9-11-19)15(3)24/h6-12,23H,4-5,13-14H2,1-3H3
InChIKeyPMJZIVNVEUMWGT-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.72
Rot. Bonds10

About [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate

[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate (PubChem CID 55311586) has the molecular formula C22H25NO6S and a molecular weight of 431.51 g/mol. Its IUPAC name is [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
PubChem CID55311586
Molecular FormulaC22H25NO6S
Molecular Weight431.51 g/mol
Exact Mass431.14
IUPAC Name[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C22H25NO6S/c1-4-16-6-7-17(5-2)20(12-16)21(25)14-29-22(26)13-23-30(27,28)19-10-8-18(9-11-19)15(3)24/h6-12,23H,4-5,13-14H2,1-3H3
InChIKeyPMJZIVNVEUMWGT-UHFFFAOYSA-N
XLogP2.72
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-diethylphenyl)-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate
CID 55378975
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854419
(3-ethylphenyl) 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 110670911
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401511
[2-(azetidin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 166220509
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311606
[2-(4-acetylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570282
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 30666166
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8603350
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55475003

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate (CID 55311586) is [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate is CCc1ccc(CC)c(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The InChIKey is PMJZIVNVEUMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6S/c1-4-16-6-7-17(5-2)20(12-16)21(25)14-29-22(26)13-23-30(27,28)19-10-8-18(9-11-19)15(3)24/h6-12,23H,4-5,13-14H2,1-3H3.
What are the key properties of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate has a molecular weight of 431.51 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 55311586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).