N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C24H23N3O4S — CID 108806054

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)noc2c1
InChIInChI=1S/C24H23N3O4S/c1-16-12-17(2)24-21(27-31-22(24)13-16)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)
InChIKeyALFQLPLTXHCXJH-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.10
Rot. Bonds7

About N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108806054) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108806054
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)noc2c1
InChIInChI=1S/C24H23N3O4S/c1-16-12-17(2)24-21(27-31-22(24)13-16)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)
InChIKeyALFQLPLTXHCXJH-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-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806213
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 108806045
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230
N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794386
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 108794350
4-[[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 108794325
ethyl 3-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108806024
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861350
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
2-(diethylamino)ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794344
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108806054) is N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)noc2c1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is ALFQLPLTXHCXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-12-17(2)24-21(27-31-22(24)13-16)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-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-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-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108806054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).