2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide

C27H34N4O5S — CID 54783172

IUPAC2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)ncn1
InChIInChI=1S/C27H34N4O5S/c1-26(2,3)18-8-13-22(21(14-18)27(4,5)6)36-16-24(32)30-19-9-11-20(12-10-19)37(33,34)31-23-15-25(35-7)29-17-28-23/h8-15,17H,16H2,1-7H3,(H,30,32)(H,28,29,31)
InChIKeyXVWHIGVPEGBSHN-UHFFFAOYSA-N
MW526.66 g/mol
LogP4.90
Rot. Bonds8

About 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide

2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 54783172) has the molecular formula C27H34N4O5S and a molecular weight of 526.66 g/mol. Its IUPAC name is 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID54783172
Molecular FormulaC27H34N4O5S
Molecular Weight526.66 g/mol
Exact Mass526.22
IUPAC Name2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)ncn1
InChIInChI=1S/C27H34N4O5S/c1-26(2,3)18-8-13-22(21(14-18)27(4,5)6)36-16-24(32)30-19-9-11-20(12-10-19)37(33,34)31-23-15-25(35-7)29-17-28-23/h8-15,17H,16H2,1-7H3,(H,30,32)(H,28,29,31)
InChIKeyXVWHIGVPEGBSHN-UHFFFAOYSA-N
XLogP4.90
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 54782870
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782946
2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 35271119
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide
CID 17160244
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17051609
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 54783055
4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3917847
2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5218053
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 4513589
3,4,5-trihydroxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 90479890

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide (CID 54783172) is 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)ncn1.
What is the InChIKey of 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is XVWHIGVPEGBSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5S/c1-26(2,3)18-8-13-22(21(14-18)27(4,5)6)36-16-24(32)30-19-9-11-20(12-10-19)37(33,34)31-23-15-25(35-7)29-17-28-23/h8-15,17H,16H2,1-7H3,(H,30,32)(H,28,29,31).
What are the key properties of 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 526.66 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 54783172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).