ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen

C24H34N2O8S — CID 145244680

IUPACethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen
SMILESCCOC(=O)/C=C/CNc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC.[H][H].[H][H]
InChIInChI=1S/C24H30N2O8S.2H2/c1-6-34-24(27)8-7-12-25-20-14-17(9-10-21(20)31-3)26-35(28,29)13-11-19-22(32-4)15-18(30-2)16-23(19)33-5;;/h7-11,13-16,25-26H,6,12H2,1-5H3;2*1H/b8-7+,13-11+;;
InChIKeyKHIHQQNUXZHYPS-GQJDOJLDSA-N
MW510.61 g/mol
LogP4.16
Rot. Bonds13

About ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen

ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen (PubChem CID 145244680) has the molecular formula C24H34N2O8S and a molecular weight of 510.61 g/mol. Its IUPAC name is ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen.

Molecular Properties

Compound Nameethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen
PubChem CID145244680
Molecular FormulaC24H34N2O8S
Molecular Weight510.61 g/mol
Exact Mass510.20
IUPAC Nameethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen
SMILESCCOC(=O)/C=C/CNc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC.[H][H].[H][H]
InChIInChI=1S/C24H30N2O8S.2H2/c1-6-34-24(27)8-7-12-25-20-14-17(9-10-21(20)31-3)26-35(28,29)13-11-19-22(32-4)15-18(30-2)16-23(19)33-5;;/h7-11,13-16,25-26H,6,12H2,1-5H3;2*1H/b8-7+,13-11+;;
InChIKeyKHIHQQNUXZHYPS-GQJDOJLDSA-N
XLogP4.16
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.61
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen 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

2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
CID 66810663
3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]-3-oxopropanoic acid
CID 10310996
2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
CID 10151889
[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
CID 67319141
(E)-N-[3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519291
(E)-N-[3-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519478
4-[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenoxy]-2-oxoethoxy]-4-oxobutanoic acid
CID 67102488
N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide
CID 173063036
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628
ethyl (E)-4-(4-chloro-3-methoxyanilino)but-2-enoate
CID 107621547
ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate
CID 140901099
ethyl (E)-4-(3-methoxyanilino)but-2-enoate
CID 80546156

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen?
The IUPAC name of ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen (CID 145244680) is ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen.
What is the SMILES notation for ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen?
The canonical SMILES for ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen is CCOC(=O)/C=C/CNc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC.[H][H].[H][H].
What is the InChIKey of ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen?
The InChIKey is KHIHQQNUXZHYPS-GQJDOJLDSA-N. The full InChI is InChI=1S/C24H30N2O8S.2H2/c1-6-34-24(27)8-7-12-25-20-14-17(9-10-21(20)31-3)26-35(28,29)13-11-19-22(32-4)15-18(30-2)16-23(19)33-5;;/h7-11,13-16,25-26H,6,12H2,1-5H3;2*1H/b8-7+,13-11+;;.
What are the key properties of ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen?
ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen has a molecular weight of 510.61 g/mol, XLogP of 4.16, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen is sourced from PubChem (CID 145244680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).