3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide

C25H28N2O4S — CID 17149747

IUPAC3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-5-19(4)31-23-8-6-7-20(16-23)25(28)26-21-9-11-24(12-10-21)32(29,30)27-22-14-17(2)13-18(3)15-22/h6-16,19,27H,5H2,1-4H3,(H,26,28)
InChIKeyMPJAAPMCBCEFJG-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.53
Rot. Bonds8

About 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide

3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17149747) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID17149747
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-5-19(4)31-23-8-6-7-20(16-23)25(28)26-21-9-11-24(12-10-21)32(29,30)27-22-14-17(2)13-18(3)15-22/h6-16,19,27H,5H2,1-4H3,(H,26,28)
InChIKeyMPJAAPMCBCEFJG-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

N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide
CID 4981702
3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17149776
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888
3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17149684
4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17141183
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 17149762
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide (CID 17149747) is 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is MPJAAPMCBCEFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-19(4)31-23-8-6-7-20(16-23)25(28)26-21-9-11-24(12-10-21)32(29,30)27-22-14-17(2)13-18(3)15-22/h6-16,19,27H,5H2,1-4H3,(H,26,28).
What are the key properties of 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide?
3-butan-2-yloxy-N-[4-[(3,5-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 3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17149747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).