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

C21H25NO7S — CID 10025975

IUPACN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(C)=O)c2)c(OC)c1
InChIInChI=1S/C21H25NO7S/c1-14(23)22-18-10-15(6-7-19(18)27-3)13-30(24,25)9-8-17-20(28-4)11-16(26-2)12-21(17)29-5/h6-12H,13H2,1-5H3,(H,22,23)/b9-8+
InChIKeyOVNYJIQDWASLKB-CMDGGOBGSA-N
MW435.50 g/mol
LogP3.27
Rot. Bonds9

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

N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide (PubChem CID 10025975) has the molecular formula C21H25NO7S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide
PubChem CID10025975
Molecular FormulaC21H25NO7S
Molecular Weight435.50 g/mol
Exact Mass435.14
IUPAC NameN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(C)=O)c2)c(OC)c1
InChIInChI=1S/C21H25NO7S/c1-14(23)22-18-10-15(6-7-19(18)27-3)13-30(24,25)9-8-17-20(28-4)11-16(26-2)12-21(17)29-5/h6-12H,13H2,1-5H3,(H,22,23)/b9-8+
InChIKeyOVNYJIQDWASLKB-CMDGGOBGSA-N
XLogP3.27
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide (CID 10025975) is N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide is COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(C)=O)c2)c(OC)c1.
What is the InChIKey of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide?
The InChIKey is OVNYJIQDWASLKB-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H25NO7S/c1-14(23)22-18-10-15(6-7-19(18)27-3)13-30(24,25)9-8-17-20(28-4)11-16(26-2)12-21(17)29-5/h6-12H,13H2,1-5H3,(H,22,23)/b9-8+.
What are the key properties of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide?
N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide is sourced from PubChem (CID 10025975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).