ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate

C18H27NO5S — CID 21094177

IUPACethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate
SMILESCCNS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)OCC)cc1
InChIInChI=1S/C18H27NO5S/c1-3-19-25(21,22)16-7-5-15(6-8-16)17(18(20)24-4-2)13-14-9-11-23-12-10-14/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyWRYXNACJTXUJEA-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.45
Rot. Bonds8

About ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate

ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate (PubChem CID 21094177) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate
PubChem CID21094177
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC Nameethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate
SMILESCCNS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)OCC)cc1
InChIInChI=1S/C18H27NO5S/c1-3-19-25(21,22)16-7-5-15(6-8-16)17(18(20)24-4-2)13-14-9-11-23-12-10-14/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyWRYXNACJTXUJEA-UHFFFAOYSA-N
XLogP2.45
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate
CID 67485838
ethyl 2-(6-methylsulfanyl-3-pyridinyl)-3-(oxan-4-yl)propanoate
CID 59331577
ethyl 2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]propanoate
CID 59285460
methyl 2-(3-methyl-4-methylsulfonylphenyl)-3-(oxan-4-yl)propanoate
CID 67188953
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 120787166
(2R)-2-[4-[cyclopropyl(dihydroxy)-λ4-sulfanyl]phenyl]-3-(oxan-4-yl)propanoic acid
CID 143893799
N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide
CID 55218470
2-(4-cyclopropylsulfonylphenyl)-N-methoxy-N-methyl-3-(oxan-4-yl)propanamide
CID 59331597
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
CID 43610408
ethyl 3-cyclopentyl-2-(4-ethylsulfanylphenyl)propanoate
CID 141028337

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate?
The IUPAC name of ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate (CID 21094177) is ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate.
What is the SMILES notation for ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate?
The canonical SMILES for ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate is CCNS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate?
The InChIKey is WRYXNACJTXUJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-3-19-25(21,22)16-7-5-15(6-8-16)17(18(20)24-4-2)13-14-9-11-23-12-10-14/h5-8,14,17,19H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate?
ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate has a molecular weight of 369.48 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate is sourced from PubChem (CID 21094177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).