2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate

C18H19NO5S — CID 8568710

IUPAC2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate
SMILESCc1cccc(/C=C/C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H19NO5S/c1-14-3-2-4-15(13-14)5-10-18(20)24-12-11-23-16-6-8-17(9-7-16)25(19,21)22/h2-10,13H,11-12H2,1H3,(H2,19,21,22)/b10-5+
InChIKeyUUPRWECTPIODCK-BJMVGYQFSA-N
MW361.42 g/mol
LogP2.28
Rot. Bonds7

About 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate

2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate (PubChem CID 8568710) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate
PubChem CID8568710
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate
SMILESCc1cccc(/C=C/C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H19NO5S/c1-14-3-2-4-15(13-14)5-10-18(20)24-12-11-23-16-6-8-17(9-7-16)25(19,21)22/h2-10,13H,11-12H2,1H3,(H2,19,21,22)/b10-5+
InChIKeyUUPRWECTPIODCK-BJMVGYQFSA-N
XLogP2.28
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 9285858
2-ethoxyethyl (E)-3-(3-methylphenyl)prop-2-enoate
CID 78832150
2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
CID 4980924
2-(4-sulfamoylphenoxy)ethyl (E)-3-quinolin-2-ylprop-2-enoate
CID 8848396
propyl 3-(3-butoxyphenyl)prop-2-enoate
CID 130331772
2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 4566695
2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519063
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
methyl 4-[(E)-3-[2-[4-(dimethylsulfamoyl)phenoxy]ethoxy]-3-oxoprop-1-enyl]benzoate
CID 39601554
2-(4-bromophenoxy)ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5165214
2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 34373179
2-[(E)-3-phenylprop-2-enoyl]oxyethyl 2-methyl-4-[3-methyl-4-[2-[(E)-3-phenylprop-2-enoyl]oxyethoxycarbonyl]phenyl]sulfonylbenzoate
CID 67960859

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate (CID 8568710) is 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate is Cc1cccc(/C=C/C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate?
The InChIKey is UUPRWECTPIODCK-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-14-3-2-4-15(13-14)5-10-18(20)24-12-11-23-16-6-8-17(9-7-16)25(19,21)22/h2-10,13H,11-12H2,1H3,(H2,19,21,22)/b10-5+.
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate?
2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate has a molecular weight of 361.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate is sourced from PubChem (CID 8568710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).