N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide

C30H25N3O3S — CID 3610987

IUPACN-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Oc1nc(Cc2ccccc2)ns1
InChIInChI=1S/C30H25N3O3S/c1-35-25-18-17-24(20-26(25)36-30-31-27(33-37-30)19-21-11-5-2-6-12-21)29(34)32-28(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,20,28H,19H2,1H3,(H,32,34)
InChIKeyVAGLPSWDOHCHOX-UHFFFAOYSA-N
MW507.62 g/mol
LogP6.45
Rot. Bonds9

About N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide

N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide (PubChem CID 3610987) has the molecular formula C30H25N3O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide.

Molecular Properties

Compound NameN-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide
PubChem CID3610987
Molecular FormulaC30H25N3O3S
Molecular Weight507.62 g/mol
Exact Mass507.16
IUPAC NameN-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Oc1nc(Cc2ccccc2)ns1
InChIInChI=1S/C30H25N3O3S/c1-35-25-18-17-24(20-26(25)36-30-31-27(33-37-30)19-21-11-5-2-6-12-21)29(34)32-28(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,20,28H,19H2,1H3,(H,32,34)
InChIKeyVAGLPSWDOHCHOX-UHFFFAOYSA-N
XLogP6.45
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 93003100
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide
CID 5193138
N-benzhydryl-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 3259414
4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 42776709
N-benzhydryl-4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 4986120
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-N-[(2R)-butan-2-yl]-4-methylbenzamide
CID 7418854
[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxyphenyl]-piperidin-1-ylmethanone
CID 3610981
N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 5097406
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 42665067
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42775270
N-butan-2-yl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxybenzamide
CID 5205439
4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxy-N,N-dipropylbenzamide
CID 42776703

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide?
The IUPAC name of N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide (CID 3610987) is N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide.
What is the SMILES notation for N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide?
The canonical SMILES for N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide is COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Oc1nc(Cc2ccccc2)ns1.
What is the InChIKey of N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide?
The InChIKey is VAGLPSWDOHCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3S/c1-35-25-18-17-24(20-26(25)36-30-31-27(33-37-30)19-21-11-5-2-6-12-21)29(34)32-28(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,20,28H,19H2,1H3,(H,32,34).
What are the key properties of N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide?
N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide has a molecular weight of 507.62 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide is sourced from PubChem (CID 3610987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).