2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate

C24H23NO6S — CID 35519063

IUPAC2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO6S/c1-29-21-12-10-20(11-13-21)25-32(27,28)23-14-7-19(8-15-23)9-16-24(26)31-18-17-30-22-5-3-2-4-6-22/h2-16,25H,17-18H2,1H3/b16-9+
InChIKeyMQKNUCJWAHHTGB-CXUHLZMHSA-N
MW453.52 g/mol
LogP4.13
Rot. Bonds10

About 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate

2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate (PubChem CID 35519063) has the molecular formula C24H23NO6S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Name2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
PubChem CID35519063
Molecular FormulaC24H23NO6S
Molecular Weight453.52 g/mol
Exact Mass453.12
IUPAC Name2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO6S/c1-29-21-12-10-20(11-13-21)25-32(27,28)23-14-7-19(8-15-23)9-16-24(26)31-18-17-30-22-5-3-2-4-6-22/h2-16,25H,17-18H2,1H3/b16-9+
InChIKeyMQKNUCJWAHHTGB-CXUHLZMHSA-N
XLogP4.13
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519072
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
(E)-3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2554303
[1-(benzylamino)-1-oxopropan-2-yl] 3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 4832601
2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
CID 4980924
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 43029907
ethyl 5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoate
CID 72747886
(2-ethyl-1,3-thiazol-4-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 24670798
4-[[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid
CID 6217472
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The IUPAC name of 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate (CID 35519063) is 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate.
What is the SMILES notation for 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The canonical SMILES for 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate is COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The InChIKey is MQKNUCJWAHHTGB-CXUHLZMHSA-N. The full InChI is InChI=1S/C24H23NO6S/c1-29-21-12-10-20(11-13-21)25-32(27,28)23-14-7-19(8-15-23)9-16-24(26)31-18-17-30-22-5-3-2-4-6-22/h2-16,25H,17-18H2,1H3/b16-9+.
What are the key properties of 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate has a molecular weight of 453.52 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate is sourced from PubChem (CID 35519063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).