ethyl 4-(methanesulfonamido)-2-phenoxybutanoate

C13H19NO5S — CID 57267762

IUPACethyl 4-(methanesulfonamido)-2-phenoxybutanoate
SMILESCCOC(=O)C(CCNS(C)(=O)=O)Oc1ccccc1
InChIInChI=1S/C13H19NO5S/c1-3-18-13(15)12(9-10-14-20(2,16)17)19-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3
InChIKeyOSDUKGRWOPOWNY-UHFFFAOYSA-N
MW301.36 g/mol
LogP0.94
Rot. Bonds8

About ethyl 4-(methanesulfonamido)-2-phenoxybutanoate

ethyl 4-(methanesulfonamido)-2-phenoxybutanoate (PubChem CID 57267762) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is ethyl 4-(methanesulfonamido)-2-phenoxybutanoate.

Molecular Properties

Compound Nameethyl 4-(methanesulfonamido)-2-phenoxybutanoate
PubChem CID57267762
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Nameethyl 4-(methanesulfonamido)-2-phenoxybutanoate
SMILESCCOC(=O)C(CCNS(C)(=O)=O)Oc1ccccc1
InChIInChI=1S/C13H19NO5S/c1-3-18-13(15)12(9-10-14-20(2,16)17)19-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3
InChIKeyOSDUKGRWOPOWNY-UHFFFAOYSA-N
XLogP0.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenoxydecanoate
CID 101000092
diethyl 2-phenoxybutanedioate
CID 72766015
2-phenoxypentaneperoxoic acid
CID 18459699
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
ethyl 2-methylidene-3-phenoxyhexanoate
CID 15482668
ethyl (2S)-2-(4-bromophenoxy)-4-phenylbutanoate
CID 67031076
ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate
CID 94215480
ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
sodium 2-phenoxypentanoate
CID 59946136
(2R)-2-phenoxyhexanoic acid
CID 71401043

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methanesulfonamido)-2-phenoxybutanoate?
The IUPAC name of ethyl 4-(methanesulfonamido)-2-phenoxybutanoate (CID 57267762) is ethyl 4-(methanesulfonamido)-2-phenoxybutanoate.
What is the SMILES notation for ethyl 4-(methanesulfonamido)-2-phenoxybutanoate?
The canonical SMILES for ethyl 4-(methanesulfonamido)-2-phenoxybutanoate is CCOC(=O)C(CCNS(C)(=O)=O)Oc1ccccc1.
What is the InChIKey of ethyl 4-(methanesulfonamido)-2-phenoxybutanoate?
The InChIKey is OSDUKGRWOPOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-3-18-13(15)12(9-10-14-20(2,16)17)19-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3.
What are the key properties of ethyl 4-(methanesulfonamido)-2-phenoxybutanoate?
ethyl 4-(methanesulfonamido)-2-phenoxybutanoate has a molecular weight of 301.36 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methanesulfonamido)-2-phenoxybutanoate is sourced from PubChem (CID 57267762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).