2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

C26H30N2O5S — CID 24633590

IUPAC2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-19(2)28-34(30,31)18-22-8-6-21(7-9-22)16-27-26(29)17-32-23-12-14-25(15-13-23)33-24-10-4-20(3)5-11-24/h4-15,19,28H,16-18H2,1-3H3,(H,27,29)
InChIKeyWHXVVZAJCVTPEQ-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.31
Rot. Bonds11

About 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 24633590) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID24633590
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-19(2)28-34(30,31)18-22-8-6-21(7-9-22)16-27-26(29)17-32-23-12-14-25(15-13-23)33-24-10-4-20(3)5-11-24/h4-15,19,28H,16-18H2,1-3H3,(H,27,29)
InChIKeyWHXVVZAJCVTPEQ-UHFFFAOYSA-N
XLogP4.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylphenoxy)phenoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633534
N-[(4-methylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55846808
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24652368
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
N-[(4-methylphenyl)methyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4270828
3-(2,5-dimethylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 29290670
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (CID 24633590) is 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is Cc1ccc(Oc2ccc(OCC(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is WHXVVZAJCVTPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-19(2)28-34(30,31)18-22-8-6-21(7-9-22)16-27-26(29)17-32-23-12-14-25(15-13-23)33-24-10-4-20(3)5-11-24/h4-15,19,28H,16-18H2,1-3H3,(H,27,29).
What are the key properties of 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.31, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24633590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).