2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide

C20H23N5O4S — CID 74925637

IUPAC2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESC=CCN1C(=O)NC(C)C(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)C1=O
InChIInChI=1S/C20H23N5O4S/c1-4-9-25-18(27)14(13(3)21-19(25)28)10-17-23-24-20(29-17)30-11-16(26)22-15-8-6-5-7-12(15)2/h4-8,13-14H,1,9-11H2,2-3H3,(H,21,28)(H,22,26)
InChIKeyGEEWLVDBTXAXEK-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.39
Rot. Bonds8

About 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide

2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 74925637) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID74925637
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESC=CCN1C(=O)NC(C)C(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)C1=O
InChIInChI=1S/C20H23N5O4S/c1-4-9-25-18(27)14(13(3)21-19(25)28)10-17-23-24-20(29-17)30-11-16(26)22-15-8-6-5-7-12(15)2/h4-8,13-14H,1,9-11H2,2-3H3,(H,21,28)(H,22,26)
InChIKeyGEEWLVDBTXAXEK-UHFFFAOYSA-N
XLogP2.39
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-[4-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 16761436
N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925313
2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 74912578
2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 5039036
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 1162761
N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925605
2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74925324
2-[[5-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 4637714
2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
CID 74925467
N-(2-hydroxyphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3999454
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 934007
2-[[5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 1206525

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide (CID 74925637) is 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide is C=CCN1C(=O)NC(C)C(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)C1=O.
What is the InChIKey of 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is GEEWLVDBTXAXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-4-9-25-18(27)14(13(3)21-19(25)28)10-17-23-24-20(29-17)30-11-16(26)22-15-8-6-5-7-12(15)2/h4-8,13-14H,1,9-11H2,2-3H3,(H,21,28)(H,22,26).
What are the key properties of 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 429.50 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 74925637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).