N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide

C25H22FN3O3S — CID 42664928

IUPACN-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1Oc1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C25H22FN3O3S/c1-15-4-10-20(12-16(15)2)27-24(30)18-7-11-21(31-3)22(14-18)32-25-28-23(29-33-25)13-17-5-8-19(26)9-6-17/h4-12,14H,13H2,1-3H3,(H,27,30)
InChIKeyFPGRQQSDSAZAMR-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.94
Rot. Bonds7

About N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide

N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide (PubChem CID 42664928) has the molecular formula C25H22FN3O3S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide
PubChem CID42664928
Molecular FormulaC25H22FN3O3S
Molecular Weight463.53 g/mol
Exact Mass463.14
IUPAC NameN-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1Oc1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C25H22FN3O3S/c1-15-4-10-20(12-16(15)2)27-24(30)18-7-11-21(31-3)22(14-18)32-25-28-23(29-33-25)13-17-5-8-19(26)9-6-17/h4-12,14H,13H2,1-3H3,(H,27,30)
InChIKeyFPGRQQSDSAZAMR-UHFFFAOYSA-N
XLogP5.94
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide with MolForge

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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
4-methyl-N-(4-methylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 5179686
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide
CID 5193138
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-pentylbenzamide
CID 3260125
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 93003100
N-butan-2-yl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxybenzamide
CID 5205439
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N,N-dipropylbenzamide
CID 3563139
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 3645254
1-[4-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxybenzoyl]piperazin-1-yl]ethanone
CID 3970627
N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide
CID 3610987
N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 3381077
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide (CID 42664928) is N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1Oc1nc(Cc2ccc(F)cc2)ns1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide?
The InChIKey is FPGRQQSDSAZAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S/c1-15-4-10-20(12-16(15)2)27-24(30)18-7-11-21(31-3)22(14-18)32-25-28-23(29-33-25)13-17-5-8-19(26)9-6-17/h4-12,14H,13H2,1-3H3,(H,27,30).
What are the key properties of N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide?
N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide has a molecular weight of 463.53 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxybenzamide is sourced from PubChem (CID 42664928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).