3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

C25H28N2O4S — CID 17149684

IUPAC3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-3-19(2)31-23-11-7-10-21(18-23)25(28)27-22-12-14-24(15-13-22)32(29,30)26-17-16-20-8-5-4-6-9-20/h4-15,18-19,26H,3,16-17H2,1-2H3,(H,27,28)
InChIKeyDIAASTJFAZSUTG-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.64
Rot. Bonds10

About 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (PubChem CID 17149684) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
PubChem CID17149684
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-3-19(2)31-23-11-7-10-21(18-23)25(28)27-22-12-14-24(15-13-22)32(29,30)26-17-16-20-8-5-4-6-9-20/h4-15,18-19,26H,3,16-17H2,1-2H3,(H,27,28)
InChIKeyDIAASTJFAZSUTG-UHFFFAOYSA-N
XLogP4.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17149776
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
4-butan-2-yloxy-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17141479
3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17149747
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
3-propan-2-yloxy-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17142715
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (CID 17149684) is 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The InChIKey is DIAASTJFAZSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-3-19(2)31-23-11-7-10-21(18-23)25(28)27-22-12-14-24(15-13-22)32(29,30)26-17-16-20-8-5-4-6-9-20/h4-15,18-19,26H,3,16-17H2,1-2H3,(H,27,28).
What are the key properties of 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17149684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).