(E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid

C19H20O5S — CID 124673623

IUPAC(E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid
SMILESCOc1ccc(S(=O)(=O)[C@](C)(/C=C/Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H20O5S/c1-19(18(20)21,14-6-9-15-7-4-3-5-8-15)25(22,23)17-12-10-16(24-2)11-13-17/h3-8,10-14H,9H2,1-2H3,(H,20,21)/b14-6+/t19-/m1/s1
InChIKeyZAPANXZRDASINC-HOWNQORCSA-N
MW360.43 g/mol
LogP3.11
Rot. Bonds7

About (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid

(E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid (PubChem CID 124673623) has the molecular formula C19H20O5S and a molecular weight of 360.43 g/mol. Its IUPAC name is (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid.

Molecular Properties

Compound Name(E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid
PubChem CID124673623
Molecular FormulaC19H20O5S
Molecular Weight360.43 g/mol
Exact Mass360.10
IUPAC Name(E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid
SMILESCOc1ccc(S(=O)(=O)[C@](C)(/C=C/Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H20O5S/c1-19(18(20)21,14-6-9-15-7-4-3-5-8-15)25(22,23)17-12-10-16(24-2)11-13-17/h3-8,10-14H,9H2,1-2H3,(H,20,21)/b14-6+/t19-/m1/s1
InChIKeyZAPANXZRDASINC-HOWNQORCSA-N
XLogP3.11
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
CID 10948439
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CID 138974571
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methylpropanoate
CID 58198436
2-amino-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-6-phenylhex-4-ynoic acid
CID 70127812
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenylheptanoic acid
CID 18790103
3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide
CID 54415664
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine
CID 175957833
2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
CID 115045053

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid?
The IUPAC name of (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid (CID 124673623) is (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid.
What is the SMILES notation for (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid?
The canonical SMILES for (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid is COc1ccc(S(=O)(=O)[C@](C)(/C=C/Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid?
The InChIKey is ZAPANXZRDASINC-HOWNQORCSA-N. The full InChI is InChI=1S/C19H20O5S/c1-19(18(20)21,14-6-9-15-7-4-3-5-8-15)25(22,23)17-12-10-16(24-2)11-13-17/h3-8,10-14H,9H2,1-2H3,(H,20,21)/b14-6+/t19-/m1/s1.
What are the key properties of (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid?
(E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid has a molecular weight of 360.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-(4-methoxyphenyl)sulfonyl-2-methyl-5-phenylpent-3-enoic acid is sourced from PubChem (CID 124673623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).