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

C21H28N2O4S — CID 17160272

IUPAC4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-15(3)23-28(25,26)20-13-9-18(10-14-20)22-21(24)17-7-11-19(12-8-17)27-16(4)6-2/h7-16,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyPAWQDGXFCBVYHF-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.19
Rot. Bonds9

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

4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 17160272) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID17160272
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-15(3)23-28(25,26)20-13-9-18(10-14-20)22-21(24)17-7-11-19(12-8-17)27-16(4)6-2/h7-16,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyPAWQDGXFCBVYHF-UHFFFAOYSA-N
XLogP4.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17141183
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide
CID 9260879
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide (CID 17160272) is 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)CC)cc2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is PAWQDGXFCBVYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-15(3)23-28(25,26)20-13-9-18(10-14-20)22-21(24)17-7-11-19(12-8-17)27-16(4)6-2/h7-16,23H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide?
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17160272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).