2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide

C23H32N2O6S — CID 126258628

IUPAC2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H32N2O6S/c1-4-5-6-14-24-23(26)17-31-19-8-10-20(11-9-19)32(27,28)25-15-13-18-7-12-21(29-2)22(16-18)30-3/h7-12,16,25H,4-6,13-15,17H2,1-3H3,(H,24,26)
InChIKeyRXSFGSWJVBCHGB-UHFFFAOYSA-N
MW464.58 g/mol
LogP2.91
Rot. Bonds14

About 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide (PubChem CID 126258628) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
PubChem CID126258628
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC Name2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H32N2O6S/c1-4-5-6-14-24-23(26)17-31-19-8-10-20(11-9-19)32(27,28)25-15-13-18-7-12-21(29-2)22(16-18)30-3/h7-12,16,25H,4-6,13-15,17H2,1-3H3,(H,24,26)
InChIKeyRXSFGSWJVBCHGB-UHFFFAOYSA-N
XLogP2.91
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126247258
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126206035
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126240142
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 126199254
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126204978
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126212164
4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide
CID 22687456
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 42563714

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide?
The IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide (CID 126258628) is 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide.
What is the SMILES notation for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide?
The canonical SMILES for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide is CCCCCNC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide?
The InChIKey is RXSFGSWJVBCHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-4-5-6-14-24-23(26)17-31-19-8-10-20(11-9-19)32(27,28)25-15-13-18-7-12-21(29-2)22(16-18)30-3/h7-12,16,25H,4-6,13-15,17H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide?
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide has a molecular weight of 464.58 g/mol, XLogP of 2.91, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide is sourced from PubChem (CID 126258628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).