2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide

C22H30N2O4S — CID 17093270

IUPAC2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)CC)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-15-23-29(26,27)20-13-9-18(10-14-20)24-21(25)16-28-19-11-7-17(8-12-19)22(3,4)6-2/h7-14,23H,5-6,15-16H2,1-4H3,(H,24,25)
InChIKeyBRPNQDKCYCCPND-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.08
Rot. Bonds10

About 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide

2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide (PubChem CID 17093270) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide
PubChem CID17093270
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)CC)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-15-23-29(26,27)20-13-9-18(10-14-20)24-21(25)16-28-19-11-7-17(8-12-19)22(3,4)6-2/h7-14,23H,5-6,15-16H2,1-4H3,(H,24,25)
InChIKeyBRPNQDKCYCCPND-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244
2-(4-ethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932605
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45375322
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093225
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
N-(2,6-dimethylphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375299

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide (CID 17093270) is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide is CCCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)CC)cc2)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide?
The InChIKey is BRPNQDKCYCCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-15-23-29(26,27)20-13-9-18(10-14-20)24-21(25)16-28-19-11-7-17(8-12-19)22(3,4)6-2/h7-14,23H,5-6,15-16H2,1-4H3,(H,24,25).
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide?
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide has a molecular weight of 418.56 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17093270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).