2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate

C18H21NO6S — CID 24530371

IUPAC2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
SMILESCCOc1ccc(OCCOC(=O)c2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO6S/c1-3-23-14-8-10-15(11-9-14)24-12-13-25-18(20)16-6-4-5-7-17(16)19-26(2,21)22/h4-11,19H,3,12-13H2,1-2H3
InChIKeyPPCPSHPVNJBAHG-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.69
Rot. Bonds9

About 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate

2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate (PubChem CID 24530371) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
PubChem CID24530371
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
SMILESCCOc1ccc(OCCOC(=O)c2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO6S/c1-3-23-14-8-10-15(11-9-14)24-12-13-25-18(20)16-6-4-5-7-17(16)19-26(2,21)22/h4-11,19H,3,12-13H2,1-2H3
InChIKeyPPCPSHPVNJBAHG-UHFFFAOYSA-N
XLogP2.69
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530361
2-(3-bromophenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530365
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16527095
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740541
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate (CID 24530371) is 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate is CCOc1ccc(OCCOC(=O)c2ccccc2NS(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate?
The InChIKey is PPCPSHPVNJBAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-3-23-14-8-10-15(11-9-14)24-12-13-25-18(20)16-6-4-5-7-17(16)19-26(2,21)22/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate?
2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate has a molecular weight of 379.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 24530371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).