N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

C26H28N2O6S — CID 26642028

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c(OC)c1
InChIInChI=1S/C26H28N2O6S/c1-5-6-19-8-14-23(24(15-19)33-4)34-17-26(29)27-21-9-7-18(2)25(16-21)35(30,31)28-20-10-12-22(32-3)13-11-20/h5-16,28H,17H2,1-4H3,(H,27,29)/b6-5+
InChIKeyKMLPELUBLRXIHH-AATRIKPKSA-N
MW496.59 g/mol
LogP4.86
Rot. Bonds10

About N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (PubChem CID 26642028) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
PubChem CID26642028
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c(OC)c1
InChIInChI=1S/C26H28N2O6S/c1-5-6-19-8-14-23(24(15-19)33-4)34-17-26(29)27-21-9-7-18(2)25(16-21)35(30,31)28-20-10-12-22(32-3)13-11-20/h5-16,28H,17H2,1-4H3,(H,27,29)/b6-5+
InChIKeyKMLPELUBLRXIHH-AATRIKPKSA-N
XLogP4.86
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907903
2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253969
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide
CID 55727070
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 6489932

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (CID 26642028) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is C/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c(OC)c1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The InChIKey is KMLPELUBLRXIHH-AATRIKPKSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-5-6-19-8-14-23(24(15-19)33-4)34-17-26(29)27-21-9-7-18(2)25(16-21)35(30,31)28-20-10-12-22(32-3)13-11-20/h5-16,28H,17H2,1-4H3,(H,27,29)/b6-5+.
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide has a molecular weight of 496.59 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 26642028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).