2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate

C20H24N2O6S — CID 2552959

IUPAC2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCCc1cccc(OCCOC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C20H24N2O6S/c1-3-16-5-4-6-18(13-16)27-11-12-28-20(24)14-21-29(25,26)19-9-7-17(8-10-19)22-15(2)23/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,23)
InChIKeyQPNPPUGHJZVBPR-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.11
Rot. Bonds10

About 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate

2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 2552959) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID2552959
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCCc1cccc(OCCOC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C20H24N2O6S/c1-3-16-5-4-6-18(13-16)27-11-12-28-20(24)14-21-29(25,26)19-9-7-17(8-10-19)22-15(2)23/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,23)
InChIKeyQPNPPUGHJZVBPR-UHFFFAOYSA-N
XLogP2.11
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(2S)-2-Hydroxy-3-[[2-[4-[(phenylsulfonyl)amino]phenyl]ethyl]amino]propoxy]phenyl]methyl]-acetamide
CID 10028830
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
N-[4-({[2-(4-chloro-2-methylphenoxy)ethyl]amino}sulfonyl)phenyl]acetamide
CID 607667
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2174334
Ethyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-(4-ethoxyphenyl)propanoate
CID 3243338
2-(3-methylphenoxy)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide
CID 1144627
(3-Phenoxyphenyl)methyl 4-[4-(prop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
CID 52939163
N-Cyclohexyl-2-[(2-ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-acetamide
CID 998717
N-Cyclopentyl-2-[(2-ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-acetamide
CID 999617
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
N-[4-(6-Methoxy-2,2,4-trimethyl-2H-quinoline-1-sulfonyl)-phenyl]-acetamide
CID 1015805

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 2552959) is 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate is CCc1cccc(OCCOC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is QPNPPUGHJZVBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-16-5-4-6-18(13-16)27-11-12-28-20(24)14-21-29(25,26)19-9-7-17(8-10-19)22-15(2)23/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate?
2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 420.49 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2552959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).