4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide

C17H15N3O2S — CID 112532790

IUPAC4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cnns3)cc2)cc1C
InChIInChI=1S/C17H15N3O2S/c1-11-9-13(5-8-15(11)22-2)17(21)19-14-6-3-12(4-7-14)16-10-18-20-23-16/h3-10H,1-2H3,(H,19,21)
InChIKeyZFJHONLNTUUYBF-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.77
Rot. Bonds4

About 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide

4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide (PubChem CID 112532790) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
PubChem CID112532790
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cnns3)cc2)cc1C
InChIInChI=1S/C17H15N3O2S/c1-11-9-13(5-8-15(11)22-2)17(21)19-14-6-3-12(4-7-14)16-10-18-20-23-16/h3-10H,1-2H3,(H,19,21)
InChIKeyZFJHONLNTUUYBF-UHFFFAOYSA-N
XLogP3.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532789
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532788
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
CID 107025570
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 89145903

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide (CID 112532790) is 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3cnns3)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The InChIKey is ZFJHONLNTUUYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-9-13(5-8-15(11)22-2)17(21)19-14-6-3-12(4-7-14)16-10-18-20-23-16/h3-10H,1-2H3,(H,19,21).
What are the key properties of 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 112532790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).