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

C18H17N3O6S — CID 7655762

IUPACN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)cc1OC
InChIInChI=1S/C18H17N3O6S/c1-25-14-8-7-12(10-15(14)26-2)17-20-21-18(27-17)19-16(22)11-5-4-6-13(9-11)28(3,23)24/h4-10H,1-3H3,(H,19,21,22)
InChIKeyVTZMCUASKCNSRV-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.41
Rot. Bonds6

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

N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide (PubChem CID 7655762) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
PubChem CID7655762
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)cc1OC
InChIInChI=1S/C18H17N3O6S/c1-25-14-8-7-12(10-15(14)26-2)17-20-21-18(27-17)19-16(22)11-5-4-6-13(9-11)28(3,23)24/h4-10H,1-3H3,(H,19,21,22)
InChIKeyVTZMCUASKCNSRV-UHFFFAOYSA-N
XLogP2.41
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7267152
3,4-dimethoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7533120
3-(3,4-dimethoxyphenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 71962001
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861367
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
4-cyano-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655668
3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227747
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 5079667

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide (CID 7655762) is N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide is COc1ccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?
The InChIKey is VTZMCUASKCNSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c1-25-14-8-7-12(10-15(14)26-2)17-20-21-18(27-17)19-16(22)11-5-4-6-13(9-11)28(3,23)24/h4-10H,1-3H3,(H,19,21,22).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide has a molecular weight of 403.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 7655762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).