2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide

C21H21ClN4O3S — CID 2426740

IUPAC2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C21H21ClN4O3S/c1-13-4-5-14(2)17(10-13)23-18(27)11-26(3)19(28)12-30-21-25-24-20(29-21)15-6-8-16(22)9-7-15/h4-10H,11-12H2,1-3H3,(H,23,27)
InChIKeyFYZFLKQIGUBHKM-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.20
Rot. Bonds7

About 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide

2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 2426740) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID2426740
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC Name2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C21H21ClN4O3S/c1-13-4-5-14(2)17(10-13)23-18(27)11-26(3)19(28)12-30-21-25-24-20(29-21)15-6-8-16(22)9-7-15/h4-10H,11-12H2,1-3H3,(H,23,27)
InChIKeyFYZFLKQIGUBHKM-UHFFFAOYSA-N
XLogP4.20
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide (CID 2426740) is 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is FYZFLKQIGUBHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-13-4-5-14(2)17(10-13)23-18(27)11-26(3)19(28)12-30-21-25-24-20(29-21)15-6-8-16(22)9-7-15/h4-10H,11-12H2,1-3H3,(H,23,27).
What are the key properties of 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 444.94 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 2426740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).