2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

C27H32N2O6S — CID 126240142

IUPAC2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1OC
InChIInChI=1S/C27H32N2O6S/c1-18-14-19(2)27(20(3)15-18)29-26(30)17-35-22-7-9-23(10-8-22)36(31,32)28-13-12-21-6-11-24(33-4)25(16-21)34-5/h6-11,14-16,28H,12-13,17H2,1-5H3,(H,29,30)
InChIKeyUWTLVUCKFSMKBT-UHFFFAOYSA-N
MW512.63 g/mol
LogP4.17
Rot. Bonds11

About 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 126240142) has the molecular formula C27H32N2O6S and a molecular weight of 512.63 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID126240142
Molecular FormulaC27H32N2O6S
Molecular Weight512.63 g/mol
Exact Mass512.20
IUPAC Name2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1OC
InChIInChI=1S/C27H32N2O6S/c1-18-14-19(2)27(20(3)15-18)29-26(30)17-35-22-7-9-23(10-8-22)36(31,32)28-13-12-21-6-11-24(33-4)25(16-21)34-5/h6-11,14-16,28H,12-13,17H2,1-5H3,(H,29,30)
InChIKeyUWTLVUCKFSMKBT-UHFFFAOYSA-N
XLogP4.17
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126206035
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
CID 126258628
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126204978
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126247258
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126212164
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 126199254
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 126204977
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 126240142) is 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1OC.
What is the InChIKey of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is UWTLVUCKFSMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6S/c1-18-14-19(2)27(20(3)15-18)29-26(30)17-35-22-7-9-23(10-8-22)36(31,32)28-13-12-21-6-11-24(33-4)25(16-21)34-5/h6-11,14-16,28H,12-13,17H2,1-5H3,(H,29,30).
What are the key properties of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 512.63 g/mol, XLogP of 4.17, 11 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 126240142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).