N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C23H27N3O5S — CID 35744205

IUPACN-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1
InChIInChI=1S/C23H27N3O5S/c1-4-5-13-24-32(28,29)19-10-8-9-18(14-19)25-23(27)20-11-6-7-12-22(20)30-15-21-16(2)26-31-17(21)3/h6-12,14,24H,4-5,13,15H2,1-3H3,(H,25,27)
InChIKeyJOVATULTRTZIFU-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.20
Rot. Bonds10

About N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 35744205) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID35744205
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1
InChIInChI=1S/C23H27N3O5S/c1-4-5-13-24-32(28,29)19-10-8-9-18(14-19)25-23(27)20-11-6-7-12-22(20)30-15-21-16(2)26-31-17(21)3/h6-12,14,24H,4-5,13,15H2,1-3H3,(H,25,27)
InChIKeyJOVATULTRTZIFU-UHFFFAOYSA-N
XLogP4.20
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 112766562
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 36859413
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30544768
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 39736330
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 35906655
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylpyrazol-3-yl)benzamide
CID 29097115

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 35744205) is N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is JOVATULTRTZIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-4-5-13-24-32(28,29)19-10-8-9-18(14-19)25-23(27)20-11-6-7-12-22(20)30-15-21-16(2)26-31-17(21)3/h6-12,14,24H,4-5,13,15H2,1-3H3,(H,25,27).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 457.55 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 35744205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).