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

C20H26N2O4S — CID 17149776

IUPAC3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-13-21-27(24,25)19-11-9-17(10-12-19)22-20(23)16-7-6-8-18(14-16)26-15(3)5-2/h6-12,14-15,21H,4-5,13H2,1-3H3,(H,22,23)
InChIKeyZMUKNAUHZYIYPU-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.80
Rot. Bonds9

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

3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide (PubChem CID 17149776) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
PubChem CID17149776
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-13-21-27(24,25)19-11-9-17(10-12-19)22-20(23)16-7-6-8-18(14-16)26-15(3)5-2/h6-12,14-15,21H,4-5,13H2,1-3H3,(H,22,23)
InChIKeyZMUKNAUHZYIYPU-UHFFFAOYSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17149684
3-propan-2-yloxy-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17142715
3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17149747
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
CID 17149809
3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 17149762
3-butan-2-yloxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17149996
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
3-(2-phenoxyethoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4955321

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide (CID 17149776) is 3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide is CCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(OC(C)CC)c2)cc1.
What is the InChIKey of 3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The InChIKey is ZMUKNAUHZYIYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-13-21-27(24,25)19-11-9-17(10-12-19)22-20(23)16-7-6-8-18(14-16)26-15(3)5-2/h6-12,14-15,21H,4-5,13H2,1-3H3,(H,22,23).
What are the key properties of 3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.80, 9 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-(propylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17149776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).