N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C22H25N3O4S — CID 24612056

IUPACN-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H25N3O4S/c1-2-3-14-24-30(27,28)19-11-7-10-18(15-19)25-21(26)12-13-22-23-16-20(29-22)17-8-5-4-6-9-17/h4-11,15-16,24H,2-3,12-14H2,1H3,(H,25,26)
InChIKeyXZOHPXUNAXSPFH-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.99
Rot. Bonds10

About N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 24612056) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID24612056
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H25N3O4S/c1-2-3-14-24-30(27,28)19-11-7-10-18(15-19)25-21(26)12-13-22-23-16-20(29-22)17-8-5-4-6-9-17/h4-11,15-16,24H,2-3,12-14H2,1H3,(H,25,26)
InChIKeyXZOHPXUNAXSPFH-UHFFFAOYSA-N
XLogP3.99
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 34237447
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60548909
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
3-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55991737
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46690874
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55684907

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 24612056) is N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is XZOHPXUNAXSPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-2-3-14-24-30(27,28)19-11-7-10-18(15-19)25-21(26)12-13-22-23-16-20(29-22)17-8-5-4-6-9-17/h4-11,15-16,24H,2-3,12-14H2,1H3,(H,25,26).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 427.53 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 24612056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).