2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid

C25H28N2O8S — CID 67102965

IUPAC2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(C(C(=O)O)N3C=CC=CC3)c2)c(OC)c1
InChIInChI=1S/C25H28N2O8S/c1-32-18-15-22(34-3)19(23(16-18)35-4)10-13-36(30,31)26-17-8-9-21(33-2)20(14-17)24(25(28)29)27-11-6-5-7-12-27/h5-11,13-16,24,26H,12H2,1-4H3,(H,28,29)
InChIKeyIGFUCNQUIWCEMX-UHFFFAOYSA-N
MW516.57 g/mol
LogP3.64
Rot. Bonds11

About 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid

2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid (PubChem CID 67102965) has the molecular formula C25H28N2O8S and a molecular weight of 516.57 g/mol. Its IUPAC name is 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid
PubChem CID67102965
Molecular FormulaC25H28N2O8S
Molecular Weight516.57 g/mol
Exact Mass516.16
IUPAC Name2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(C(C(=O)O)N3C=CC=CC3)c2)c(OC)c1
InChIInChI=1S/C25H28N2O8S/c1-32-18-15-22(34-3)19(23(16-18)35-4)10-13-36(30,31)26-17-8-9-21(33-2)20(14-17)24(25(28)29)27-11-6-5-7-12-27/h5-11,13-16,24,26H,12H2,1-4H3,(H,28,29)
InChIKeyIGFUCNQUIWCEMX-UHFFFAOYSA-N
XLogP3.64
TPSA123.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid with MolForge

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Related Compounds

[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl] 2-(2H-pyridin-1-yl)acetate
CID 77278786
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-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628
2,2-difluoro-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenoxy]-3-oxopropanoic acid
CID 67102910
2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
CID 10151889
4-[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenoxy]-2-oxoethoxy]-4-oxobutanoic acid
CID 67102488
(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745325
[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
CID 67319141
N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide;(2S)-2,6-diaminohexanamide
CID 67318094
(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

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid?
The IUPAC name of 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid (CID 67102965) is 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid?
The canonical SMILES for 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid is COc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(C(C(=O)O)N3C=CC=CC3)c2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid?
The InChIKey is IGFUCNQUIWCEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O8S/c1-32-18-15-22(34-3)19(23(16-18)35-4)10-13-36(30,31)26-17-8-9-21(33-2)20(14-17)24(25(28)29)27-11-6-5-7-12-27/h5-11,13-16,24,26H,12H2,1-4H3,(H,28,29).
What are the key properties of 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid?
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-2-(2H-pyridin-1-yl)acetic acid has a molecular weight of 516.57 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 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]phenyl]-2-(2H-pyridin-1-yl)acetic acid is sourced from PubChem (CID 67102965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).