N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

C19H17N3O3S2 — CID 5066970

IUPACN-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nsc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C19H17N3O3S2/c1-12(23)13-3-7-15(8-4-13)20-17(24)11-26-19-21-18(22-27-19)14-5-9-16(25-2)10-6-14/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyARDFDIOMSLRLPB-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.15
Rot. Bonds7

About N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 5066970) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID5066970
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC NameN-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nsc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C19H17N3O3S2/c1-12(23)13-3-7-15(8-4-13)20-17(24)11-26-19-21-18(22-27-19)14-5-9-16(25-2)10-6-14/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyARDFDIOMSLRLPB-UHFFFAOYSA-N
XLogP4.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 5066970) is N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is COc1ccc(-c2nsc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is ARDFDIOMSLRLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-12(23)13-3-7-15(8-4-13)20-17(24)11-26-19-21-18(22-27-19)14-5-9-16(25-2)10-6-14/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 5066970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).