N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C23H27N3O4S — CID 24627575

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C23H27N3O4S/c1-4-5-15-26(3)31(28,29)20-13-11-19(12-14-20)24-22(27)16-21-17(2)30-23(25-21)18-9-7-6-8-10-18/h6-14H,4-5,15-16H2,1-3H3,(H,24,27)
InChIKeyOWWUVHPFKNWQSH-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.25
Rot. Bonds9

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 24627575) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID24627575
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C23H27N3O4S/c1-4-5-15-26(3)31(28,29)20-13-11-19(12-14-20)24-22(27)16-21-17(2)30-23(25-21)18-9-7-6-8-10-18/h6-14H,4-5,15-16H2,1-3H3,(H,24,27)
InChIKeyOWWUVHPFKNWQSH-UHFFFAOYSA-N
XLogP4.25
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopentylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611201
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18282283
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 53055827
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
N-(4-methyl-3-nitrophenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 31869311
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38789403
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 24627575) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is OWWUVHPFKNWQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-4-5-15-26(3)31(28,29)20-13-11-19(12-14-20)24-22(27)16-21-17(2)30-23(25-21)18-9-7-6-8-10-18/h6-14H,4-5,15-16H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 441.55 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 24627575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).