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

C18H18N4O5S — CID 100623554

IUPACN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)c1
InChIInChI=1S/C18H18N4O5S/c1-19-28(24,25)15-8-4-6-13(10-15)18(23)20-11-16-21-17(22-27-16)12-5-3-7-14(9-12)26-2/h3-10,19H,11H2,1-2H3,(H,20,23)
InChIKeyXRMSMHYZYLIHJV-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.58
Rot. Bonds7

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

N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide (PubChem CID 100623554) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide
PubChem CID100623554
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)c1
InChIInChI=1S/C18H18N4O5S/c1-19-28(24,25)15-8-4-6-13(10-15)18(23)20-11-16-21-17(22-27-16)12-5-3-7-14(9-12)26-2/h3-10,19H,11H2,1-2H3,(H,20,23)
InChIKeyXRMSMHYZYLIHJV-UHFFFAOYSA-N
XLogP1.58
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 110323036
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55476538
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110323025
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid
CID 110610672
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710
3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91796278
methyl 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoate
CID 94008888
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 171347624
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55324613
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
3-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 99994482
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide (CID 100623554) is N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)c1.
What is the InChIKey of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is XRMSMHYZYLIHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-19-28(24,25)15-8-4-6-13(10-15)18(23)20-11-16-21-17(22-27-16)12-5-3-7-14(9-12)26-2/h3-10,19H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide?
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 402.43 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 100623554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).