N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide

C18H18N4O4S — CID 102500653

IUPACN-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2nnc(CNC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C18H18N4O4S/c1-13-7-9-15(10-8-13)27(24,25)20-12-17-22-21-16(26-17)11-19-18(23)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,19,23)
InChIKeyUWWFVXZNIYYNEG-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.79
Rot. Bonds7

About N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide

N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 102500653) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID102500653
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2nnc(CNC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C18H18N4O4S/c1-13-7-9-15(10-8-13)27(24,25)20-12-17-22-21-16(26-17)11-19-18(23)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,19,23)
InChIKeyUWWFVXZNIYYNEG-UHFFFAOYSA-N
XLogP1.79
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662151
N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 162673686
4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide
CID 68805332
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
CID 9189372
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7502187
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 87043414

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 102500653) is N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is Cc1ccc(S(=O)(=O)NCc2nnc(CNC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is UWWFVXZNIYYNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-13-7-9-15(10-8-13)27(24,25)20-12-17-22-21-16(26-17)11-19-18(23)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,19,23).
What are the key properties of N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 386.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 102500653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).