3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide

C18H17N3O2S — CID 112532794

IUPAC3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3cnns3)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-16-9-2-13(3-10-16)4-11-18(22)20-15-7-5-14(6-8-15)17-12-19-21-24-17/h2-3,5-10,12H,4,11H2,1H3,(H,20,22)
InChIKeyFQSNTWNQWJSRKY-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.79
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide (PubChem CID 112532794) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide
PubChem CID112532794
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3cnns3)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-16-9-2-13(3-10-16)4-11-18(22)20-15-7-5-14(6-8-15)17-12-19-21-24-17/h2-3,5-10,12H,4,11H2,1H3,(H,20,22)
InChIKeyFQSNTWNQWJSRKY-UHFFFAOYSA-N
XLogP3.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
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3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
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N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide (CID 112532794) is 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(-c3cnns3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide?
The InChIKey is FQSNTWNQWJSRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-16-9-2-13(3-10-16)4-11-18(22)20-15-7-5-14(6-8-15)17-12-19-21-24-17/h2-3,5-10,12H,4,11H2,1H3,(H,20,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide has a molecular weight of 339.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 112532794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).