N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide

C24H23N3O4S — CID 108806213

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2onc(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)c2c1
InChIInChI=1S/C24H23N3O4S/c1-16-12-17(2)24-21(13-16)22(27-31-24)14-23(28)26-19-8-10-20(11-9-19)32(29,30)25-15-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28)
InChIKeyHPQHFRJELUOSEF-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.10
Rot. Bonds7

About N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108806213) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108806213
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2onc(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)c2c1
InChIInChI=1S/C24H23N3O4S/c1-16-12-17(2)24-21(13-16)22(27-31-24)14-23(28)26-19-8-10-20(11-9-19)32(29,30)25-15-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28)
InChIKeyHPQHFRJELUOSEF-UHFFFAOYSA-N
XLogP4.10
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806054
N-(4-bromophenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794442
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108744683
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 108806118
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid
CID 108806265
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 108806164
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
CID 108806273

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108806213) is N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc(C)c2onc(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)c2c1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is HPQHFRJELUOSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-12-17(2)24-21(13-16)22(27-31-24)14-23(28)26-19-8-10-20(11-9-19)32(29,30)25-15-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 449.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108806213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).