2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid

C20H24N2O8S — CID 66810663

IUPAC2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1
InChIInChI=1S/C20H24N2O8S/c1-27-14-10-18(29-3)15(19(11-14)30-4)7-8-31(25,26)22-13-5-6-17(28-2)16(9-13)21-12-20(23)24/h5-11,21-22H,12H2,1-4H3,(H,23,24)
InChIKeyAICWNSKTQCDNGT-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.63
Rot. Bonds11

About 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid

2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid (PubChem CID 66810663) has the molecular formula C20H24N2O8S and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
PubChem CID66810663
Molecular FormulaC20H24N2O8S
Molecular Weight452.49 g/mol
Exact Mass452.13
IUPAC Name2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1
InChIInChI=1S/C20H24N2O8S/c1-27-14-10-18(29-3)15(19(11-14)30-4)7-8-31(25,26)22-13-5-6-17(28-2)16(9-13)21-12-20(23)24/h5-11,21-22H,12H2,1-4H3,(H,23,24)
InChIKeyAICWNSKTQCDNGT-UHFFFAOYSA-N
XLogP2.63
TPSA132.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 6918736
[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
CID 67319141
ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen
CID 145244680
sodium;hydride;2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 173010380
(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-[5-[dideuterio-[(E)-2-[2,6-dimethoxy-4-(trideuteriomethoxy)phenyl]ethenyl]sulfonylmethyl]-2-methoxyanilino]acetic acid
CID 71815794
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid?
The IUPAC name of 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid (CID 66810663) is 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid.
What is the SMILES notation for 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid?
The canonical SMILES for 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid is COc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid?
The InChIKey is AICWNSKTQCDNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O8S/c1-27-14-10-18(29-3)15(19(11-14)30-4)7-8-31(25,26)22-13-5-6-17(28-2)16(9-13)21-12-20(23)24/h5-11,21-22H,12H2,1-4H3,(H,23,24).
What are the key properties of 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid?
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid has a molecular weight of 452.49 g/mol, XLogP of 2.63, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid is sourced from PubChem (CID 66810663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).