4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C19H20N4O4S — CID 43952112

IUPAC4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1
InChIInChI=1S/C19H20N4O4S/c1-13(2)18-21-22-19(27-18)20-17(24)14-9-11-16(12-10-14)28(25,26)23(3)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,22,24)
InChIKeyNMFNEUAJQZCCMF-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.27
Rot. Bonds6

About 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 43952112) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID43952112
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1
InChIInChI=1S/C19H20N4O4S/c1-13(2)18-21-22-19(27-18)20-17(24)14-9-11-16(12-10-14)28(25,26)23(3)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,22,24)
InChIKeyNMFNEUAJQZCCMF-UHFFFAOYSA-N
XLogP3.27
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3430781
4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43973238
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43976196
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16821748
4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
CID 126140576
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 43952112) is 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is NMFNEUAJQZCCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13(2)18-21-22-19(27-18)20-17(24)14-9-11-16(12-10-14)28(25,26)23(3)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,22,24).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 400.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 43952112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).