ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate

C19H26O5S — CID 67485838

IUPACethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate
SMILESCCOC(=O)C(CC1CCCC1)c1ccc(S(=O)(=O)CC(C)=O)cc1
InChIInChI=1S/C19H26O5S/c1-3-24-19(21)18(12-15-6-4-5-7-15)16-8-10-17(11-9-16)25(22,23)13-14(2)20/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeyINYGQLNPDYEMOP-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.28
Rot. Bonds8

About ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate

ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate (PubChem CID 67485838) has the molecular formula C19H26O5S and a molecular weight of 366.48 g/mol. Its IUPAC name is ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate
PubChem CID67485838
Molecular FormulaC19H26O5S
Molecular Weight366.48 g/mol
Exact Mass366.15
IUPAC Nameethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate
SMILESCCOC(=O)C(CC1CCCC1)c1ccc(S(=O)(=O)CC(C)=O)cc1
InChIInChI=1S/C19H26O5S/c1-3-24-19(21)18(12-15-6-4-5-7-15)16-8-10-17(11-9-16)25(22,23)13-14(2)20/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeyINYGQLNPDYEMOP-UHFFFAOYSA-N
XLogP3.28
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
ethyl 3-cyclopentyl-2-(4-ethylsulfanylphenyl)propanoate
CID 141028337
ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate
CID 21094177
ethyl 2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]propanoate
CID 59285460
ethyl 2-[4-(2-oxopropylsulfonyl)phenyl]acetate
CID 67485521
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
ethyl 5-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 59331259
ethyl 2-(6-methylsulfanyl-3-pyridinyl)-3-(oxan-4-yl)propanoate
CID 59331577
(3R)-4-cyclopentyl-1-[5-(diethoxyphosphorylmethylsulfonyl)-1,3-thiazol-2-yl]-3-(4-methylsulfonylphenyl)butan-2-one
CID 58266126
methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate
CID 67483766
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
ethyl 2-bromo-2-(4-cyclopropylsulfonylphenyl)acetate
CID 59610021

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate?
The IUPAC name of ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate (CID 67485838) is ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate is CCOC(=O)C(CC1CCCC1)c1ccc(S(=O)(=O)CC(C)=O)cc1.
What is the InChIKey of ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate?
The InChIKey is INYGQLNPDYEMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5S/c1-3-24-19(21)18(12-15-6-4-5-7-15)16-8-10-17(11-9-16)25(22,23)13-14(2)20/h8-11,15,18H,3-7,12-13H2,1-2H3.
What are the key properties of ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate?
ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate has a molecular weight of 366.48 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentyl-2-[4-(2-oxopropylsulfonyl)phenyl]propanoate is sourced from PubChem (CID 67485838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).