N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C21H25N3O6S — CID 26011320

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C21H25N3O6S/c1-3-23(4-2)31(28,29)15-11-12-18(25)16(14-15)22-20(26)10-7-13-24-17-8-5-6-9-19(17)30-21(24)27/h5-6,8-9,11-12,14,25H,3-4,7,10,13H2,1-2H3,(H,22,26)
InChIKeyROIOLSWJCPQQBL-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.75
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 26011320) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID26011320
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C21H25N3O6S/c1-3-23(4-2)31(28,29)15-11-12-18(25)16(14-15)22-20(26)10-7-13-24-17-8-5-6-9-19(17)30-21(24)27/h5-6,8-9,11-12,14,25H,3-4,7,10,13H2,1-2H3,(H,22,26)
InChIKeyROIOLSWJCPQQBL-UHFFFAOYSA-N
XLogP2.75
TPSA121.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]carbamoyl]benzenesulfonamide
CID 26850250
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]propanamide
CID 16565987
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 31290190
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17308490
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide
CID 17393633
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46454589
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 18089950
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 26011320) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is ROIOLSWJCPQQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-3-23(4-2)31(28,29)15-11-12-18(25)16(14-15)22-20(26)10-7-13-24-17-8-5-6-9-19(17)30-21(24)27/h5-6,8-9,11-12,14,25H,3-4,7,10,13H2,1-2H3,(H,22,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 447.51 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 26011320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).