N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C21H24N4O4S — CID 651326

IUPACN-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)c1
InChIInChI=1S/C21H24N4O4S/c1-13-5-7-16(14(2)9-13)22-11-20-24-25-21(29-20)30-12-19(26)23-17-10-15(27-3)6-8-18(17)28-4/h5-10,22H,11-12H2,1-4H3,(H,23,26)
InChIKeyGMMGRBKHUVMUHV-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.05
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 651326) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID651326
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)c1
InChIInChI=1S/C21H24N4O4S/c1-13-5-7-16(14(2)9-13)22-11-20-24-25-21(29-20)30-12-19(26)23-17-10-15(27-3)6-8-18(17)28-4/h5-10,22H,11-12H2,1-4H3,(H,23,26)
InChIKeyGMMGRBKHUVMUHV-UHFFFAOYSA-N
XLogP4.05
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]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 N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 651326) is N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is GMMGRBKHUVMUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-13-5-7-16(14(2)9-13)22-11-20-24-25-21(29-20)30-12-19(26)23-17-10-15(27-3)6-8-18(17)28-4/h5-10,22H,11-12H2,1-4H3,(H,23,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 428.51 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[[5-[(2,4-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 651326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).