3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

C17H15N3O3S — CID 75526163

IUPAC3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCS(=O)Cc1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1
InChIInChI=1S/C17H15N3O3S/c1-24(22)10-12-3-2-4-14(9-12)16(21)19-15-7-5-13(6-8-15)17-20-18-11-23-17/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyLKYFDLFMIFBEIF-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.87
Rot. Bonds5

About 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 75526163) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID75526163
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCS(=O)Cc1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1
InChIInChI=1S/C17H15N3O3S/c1-24(22)10-12-3-2-4-14(9-12)16(21)19-15-7-5-13(6-8-15)17-20-18-11-23-17/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyLKYFDLFMIFBEIF-UHFFFAOYSA-N
XLogP2.87
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide 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-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
CID 134032815
N-[4-(3-methylbutanoylamino)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 134001886
N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 18146301
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9075639
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 51090180
N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
CID 46678639
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9072722
6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 61249051
2-ethoxy-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 51076681

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 75526163) is 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is CS(=O)Cc1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1.
What is the InChIKey of 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is LKYFDLFMIFBEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-24(22)10-12-3-2-4-14(9-12)16(21)19-15-7-5-13(6-8-15)17-20-18-11-23-17/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 75526163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).