ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate

C19H22O5S — CID 10948439

IUPACethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22O5S/c1-4-24-18(20)19(2,14-15-8-6-5-7-9-15)25(21,22)17-12-10-16(23-3)11-13-17/h5-13H,4,14H2,1-3H3
InChIKeyHRBLYZSWZKHYRS-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.03
Rot. Bonds7

About ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate

ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate (PubChem CID 10948439) has the molecular formula C19H22O5S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
PubChem CID10948439
Molecular FormulaC19H22O5S
Molecular Weight362.45 g/mol
Exact Mass362.12
IUPAC Nameethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22O5S/c1-4-24-18(20)19(2,14-15-8-6-5-7-9-15)25(21,22)17-12-10-16(23-3)11-13-17/h5-13H,4,14H2,1-3H3
InChIKeyHRBLYZSWZKHYRS-UHFFFAOYSA-N
XLogP3.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-methoxyphenyl)sulfonyl-2-methylpropanoate
CID 58198436
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[4-(2-piperidin-2-ylethoxy)phenyl]propanoate
CID 70062115
ethyl (2R,3S)-2-benzyl-2-(benzylamino)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 71614605
ethyl (2R,3R)-2-benzyl-2-(benzylamino)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 71615190
diethyl 2-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]propanedioate
CID 11451869
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
(E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid
CID 124673623
3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide
CID 67707570
ethyl 3-benzyl-2-cyano-4-(4-methoxyphenyl)-3-methylbutanoate
CID 18624151
ethyl (E,2S)-2-amino-2-benzyl-5-(4-methoxyphenyl)pent-4-enoate
CID 146162567
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
ethyl 2-methyl-2-(4-methylsulfonylphenyl)sulfonylpropanoate
CID 67324129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate (CID 10948439) is ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate is CCOC(=O)C(C)(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate?
The InChIKey is HRBLYZSWZKHYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5S/c1-4-24-18(20)19(2,14-15-8-6-5-7-9-15)25(21,22)17-12-10-16(23-3)11-13-17/h5-13H,4,14H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate?
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate has a molecular weight of 362.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 10948439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).