N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

C18H17N3O3S — CID 35345269

IUPACN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCCOc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-3-24-14-10-9-13(11-15(14)23-2)16-19-18(25-21-16)20-17(22)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20,21,22)
InChIKeyOQOSWPNNDQFUTR-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.86
Rot. Bonds6

About N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 35345269) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID35345269
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCCOc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-3-24-14-10-9-13(11-15(14)23-2)16-19-18(25-21-16)20-17(22)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20,21,22)
InChIKeyOQOSWPNNDQFUTR-UHFFFAOYSA-N
XLogP3.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345237
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
CID 35345895
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
CID 35572487
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 35345260
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35182220
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 35345269) is N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide is CCOc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1OC.
What is the InChIKey of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is OQOSWPNNDQFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-24-14-10-9-13(11-15(14)23-2)16-19-18(25-21-16)20-17(22)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20,21,22).
What are the key properties of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 355.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 35345269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).