4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide

C25H28N2O4S — CID 17141183

IUPAC4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-19(4)31-23-12-7-20(8-13-23)25(28)26-21-10-14-24(15-11-21)32(29,30)27-22-9-6-17(2)18(3)16-22/h6-16,19,27H,5H2,1-4H3,(H,26,28)
InChIKeyAKNCELCQNSXMSX-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.53
Rot. Bonds8

About 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide

4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17141183) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID17141183
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-19(4)31-23-12-7-20(8-13-23)25(28)26-21-10-14-24(15-11-21)32(29,30)27-22-9-6-17(2)18(3)16-22/h6-16,19,27H,5H2,1-4H3,(H,26,28)
InChIKeyAKNCELCQNSXMSX-UHFFFAOYSA-N
XLogP5.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17149747
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
N-(4-butan-2-yloxyphenyl)-3-iodo-4-methylbenzamide
CID 17160577
4-butan-2-yloxy-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17141560
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222218

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide (CID 17141183) is 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is AKNCELCQNSXMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-19(4)31-23-12-7-20(8-13-23)25(28)26-21-10-14-24(15-11-21)32(29,30)27-22-9-6-17(2)18(3)16-22/h6-16,19,27H,5H2,1-4H3,(H,26,28).
What are the key properties of 4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 5.53, 8 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-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17141183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).