4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide

C25H23N3O2S — CID 5179686

IUPAC4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
SMILESCc1ccc(Cc2nsc(Oc3cc(C(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1
InChIInChI=1S/C25H23N3O2S/c1-16-4-9-19(10-5-16)14-23-27-25(31-28-23)30-22-15-20(11-8-18(22)3)24(29)26-21-12-6-17(2)7-13-21/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyNCHPRISSOIFOLF-UHFFFAOYSA-N
MW429.55 g/mol
LogP6.10
Rot. Bonds6

About 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide

4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide (PubChem CID 5179686) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
PubChem CID5179686
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
SMILESCc1ccc(Cc2nsc(Oc3cc(C(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1
InChIInChI=1S/C25H23N3O2S/c1-16-4-9-19(10-5-16)14-23-27-25(31-28-23)30-22-15-20(11-8-18(22)3)24(29)26-21-12-6-17(2)7-13-21/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyNCHPRISSOIFOLF-UHFFFAOYSA-N
XLogP6.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42775916
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide
CID 5193138
N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide
CID 42664928
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-N-[(2R)-butan-2-yl]-4-methylbenzamide
CID 7418854
N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 3381077
3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7218605
N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methylbenzamide
CID 3264990
3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methyl-N-(2-methylpropyl)benzamide
CID 5205456
N-[2-(dimethylamino)ethyl]-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methylbenzamide
CID 5192697
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-methyl-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]methanone
CID 3527797
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-pentylbenzamide
CID 3260125

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide (CID 5179686) is 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide is Cc1ccc(Cc2nsc(Oc3cc(C(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide?
The InChIKey is NCHPRISSOIFOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-16-4-9-19(10-5-16)14-23-27-25(31-28-23)30-22-15-20(11-8-18(22)3)24(29)26-21-12-6-17(2)7-13-21/h4-13,15H,14H2,1-3H3,(H,26,29).
What are the key properties of 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide?
4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide has a molecular weight of 429.55 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide is sourced from PubChem (CID 5179686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).