2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C20H16N4O3S — CID 66491232

IUPAC2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1
InChIInChI=1S/C20H16N4O3S/c1-2-17-22-23-20(28-17)21-16(25)11-12-7-9-13(10-8-12)24-18(26)14-5-3-4-6-15(14)19(24)27/h3-10H,2,11H2,1H3,(H,21,23,25)
InChIKeyOPFVMPNLWWXYKB-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 66491232) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID66491232
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1
InChIInChI=1S/C20H16N4O3S/c1-2-17-22-23-20(28-17)21-16(25)11-12-7-9-13(10-8-12)24-18(26)14-5-3-4-6-15(14)19(24)27/h3-10H,2,11H2,1H3,(H,21,23,25)
InChIKeyOPFVMPNLWWXYKB-UHFFFAOYSA-N
XLogP3.08
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17297201
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 66491223
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 108756226
1-[(1,3-dioxoisoindol-2-yl)methyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 19259014
2-(3,4-dichlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1247271
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 19259082
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
2-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3764789
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 66491232) is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)Cc2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1.
What is the InChIKey of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OPFVMPNLWWXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-2-17-22-23-20(28-17)21-16(25)11-12-7-9-13(10-8-12)24-18(26)14-5-3-4-6-15(14)19(24)27/h3-10H,2,11H2,1H3,(H,21,23,25).
What are the key properties of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 66491232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).