[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate

C22H26N2O9S — CID 67319141

IUPAC[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NC(=O)COC(C)=O)c2)c(OC)c1
InChIInChI=1S/C22H26N2O9S/c1-14(25)33-13-22(26)23-18-10-15(6-7-19(18)30-3)24-34(27,28)9-8-17-20(31-4)11-16(29-2)12-21(17)32-5/h6-12,24H,13H2,1-5H3,(H,23,26)
InChIKeyJHIBTTLOCBWASN-UHFFFAOYSA-N
MW494.52 g/mol
LogP2.64
Rot. Bonds11

About [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate

[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate (PubChem CID 67319141) has the molecular formula C22H26N2O9S and a molecular weight of 494.52 g/mol. Its IUPAC name is [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
PubChem CID67319141
Molecular FormulaC22H26N2O9S
Molecular Weight494.52 g/mol
Exact Mass494.14
IUPAC Name[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NC(=O)COC(C)=O)c2)c(OC)c1
InChIInChI=1S/C22H26N2O9S/c1-14(25)33-13-22(26)23-18-10-15(6-7-19(18)30-3)24-34(27,28)9-8-17-20(31-4)11-16(29-2)12-21(17)32-5/h6-12,24H,13H2,1-5H3,(H,23,26)
InChIKeyJHIBTTLOCBWASN-UHFFFAOYSA-N
XLogP2.64
TPSA138.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
CID 66810663
N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide
CID 173063036
4-[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenoxy]-2-oxoethoxy]-4-oxobutanoic acid
CID 67102488
ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen
CID 145244680
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628
(E)-N-[3-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519478
(E)-N-[3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519291
(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745325
2,2-difluoro-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenoxy]-3-oxopropanoic acid
CID 67102910
N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide;(2S)-2,6-diaminohexanamide
CID 67318094

Frequently Asked Questions

What is the IUPAC name of [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate?
The IUPAC name of [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate (CID 67319141) is [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate is COc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NC(=O)COC(C)=O)c2)c(OC)c1.
What is the InChIKey of [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate?
The InChIKey is JHIBTTLOCBWASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O9S/c1-14(25)33-13-22(26)23-18-10-15(6-7-19(18)30-3)24-34(27,28)9-8-17-20(31-4)11-16(29-2)12-21(17)32-5/h6-12,24H,13H2,1-5H3,(H,23,26).
What are the key properties of [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate?
[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate has a molecular weight of 494.52 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate is sourced from PubChem (CID 67319141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).