N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide

C17H15N3O5S — CID 43981074

IUPACN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccccc3S(C)(=O)=O)o2)c1
InChIInChI=1S/C17H15N3O5S/c1-24-12-7-5-6-11(10-12)16-19-20-17(25-16)18-15(21)13-8-3-4-9-14(13)26(2,22)23/h3-10H,1-2H3,(H,18,20,21)
InChIKeyJOJBHBMGZYECCS-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.40
Rot. Bonds5

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

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide (PubChem CID 43981074) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide
PubChem CID43981074
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccccc3S(C)(=O)=O)o2)c1
InChIInChI=1S/C17H15N3O5S/c1-24-12-7-5-6-11(10-12)16-19-20-17(25-16)18-15(21)13-8-3-4-9-14(13)26(2,22)23/h3-10H,1-2H3,(H,18,20,21)
InChIKeyJOJBHBMGZYECCS-UHFFFAOYSA-N
XLogP2.40
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4064257
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828353
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5050382
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16802504
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide
CID 8698901
2-(3-methoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977307
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959640
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977226
2-methyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578185

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide (CID 43981074) is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide is COc1cccc(-c2nnc(NC(=O)c3ccccc3S(C)(=O)=O)o2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide?
The InChIKey is JOJBHBMGZYECCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-24-12-7-5-6-11(10-12)16-19-20-17(25-16)18-15(21)13-8-3-4-9-14(13)26(2,22)23/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide?
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide has a molecular weight of 373.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 43981074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).