ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate

C20H25NO5S — CID 141018086

IUPACethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(OCCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25NO5S/c1-4-25-20(22)15(2)17-7-11-19(12-8-17)26-14-13-16-5-9-18(10-6-16)21-27(3,23)24/h5-12,15,21H,4,13-14H2,1-3H3
InChIKeyRKCHLSJDXNAOFB-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.35
Rot. Bonds9

About ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate

ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate (PubChem CID 141018086) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate
PubChem CID141018086
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Nameethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(OCCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25NO5S/c1-4-25-20(22)15(2)17-7-11-19(12-8-17)26-14-13-16-5-9-18(10-6-16)21-27(3,23)24/h5-12,15,21H,4,13-14H2,1-3H3
InChIKeyRKCHLSJDXNAOFB-UHFFFAOYSA-N
XLogP3.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
CID 53249782
ethyl 2-(4-methylsulfonyloxyphenyl)propanoate
CID 87441895
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 54136082
methyl 2-(4-pentoxyphenyl)propanoate
CID 69403046
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
ethyl (2S)-2-ethoxy-3-[4-[2-[4-(2-methylpropanoylamino)phenyl]ethoxy]phenyl]propanoate
CID 54139683
methyl 2-(4-propylphenyl)propanoate
CID 62801402
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
[4-[2-[4-[2-ethoxy-3-(methoxyamino)-3-oxopropyl]phenoxy]ethyl]phenyl] methanesulfonate
CID 123170529

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate (CID 141018086) is ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate is CCOC(=O)C(C)c1ccc(OCCc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate?
The InChIKey is RKCHLSJDXNAOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-4-25-20(22)15(2)17-7-11-19(12-8-17)26-14-13-16-5-9-18(10-6-16)21-27(3,23)24/h5-12,15,21H,4,13-14H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate?
ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate has a molecular weight of 391.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate is sourced from PubChem (CID 141018086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).