2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide

C23H29NO8S — CID 10345049

IUPAC2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)C(C)(C)O)c2)c(OC)c1
InChIInChI=1S/C23H29NO8S/c1-23(2,26)22(25)24-18-11-15(7-8-19(18)30-4)14-33(27,28)10-9-17-20(31-5)12-16(29-3)13-21(17)32-6/h7-13,26H,14H2,1-6H3,(H,24,25)/b10-9+
InChIKeyOQOWGQNKVYFXRH-MDZDMXLPSA-N
MW479.55 g/mol
LogP3.02
Rot. Bonds10

About 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide

2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide (PubChem CID 10345049) has the molecular formula C23H29NO8S and a molecular weight of 479.55 g/mol. Its IUPAC name is 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide
PubChem CID10345049
Molecular FormulaC23H29NO8S
Molecular Weight479.55 g/mol
Exact Mass479.16
IUPAC Name2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)C(C)(C)O)c2)c(OC)c1
InChIInChI=1S/C23H29NO8S/c1-23(2,26)22(25)24-18-11-15(7-8-19(18)30-4)14-33(27,28)10-9-17-20(31-5)12-16(29-3)13-21(17)32-6/h7-13,26H,14H2,1-6H3,(H,24,25)/b10-9+
InChIKeyOQOWGQNKVYFXRH-MDZDMXLPSA-N
XLogP3.02
TPSA120.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

methyl N-[2-methoxy-5-[[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]carbamate
CID 142801174
2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 6918736
sodium;hydride;2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 173010380
methyl (2S)-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]propanoate
CID 70685313
2-methoxy-N-[(1Z)-3-methylbuta-1,3-dienyl]-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]aniline
CID 126560347
(E)-1-(3,4-dimethoxyphenyl)-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]prop-2-en-1-one
CID 126519311
(E)-1-(4-chlorophenyl)-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]prop-2-en-1-one
CID 126519354
methyl N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]-N-methylcarbamate
CID 171137401
2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide
CID 25001240
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]sulfonyl-methylcarbamic acid
CID 87201914
[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl] 2-acetyloxy-2-methylpropanoate
CID 72968130
2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonothioamide
CID 88882906

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide (CID 10345049) is 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide is COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)C(C)(C)O)c2)c(OC)c1.
What is the InChIKey of 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide?
The InChIKey is OQOWGQNKVYFXRH-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H29NO8S/c1-23(2,26)22(25)24-18-11-15(7-8-19(18)30-4)14-33(27,28)10-9-17-20(31-5)12-16(29-3)13-21(17)32-6/h7-13,26H,14H2,1-6H3,(H,24,25)/b10-9+.
What are the key properties of 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide?
2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide has a molecular weight of 479.55 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 10345049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).