2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide

C23H28N4O4S2 — CID 27062722

IUPAC2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C23H28N4O4S2/c1-6-14-9-8-10-15(7-2)20(14)25-22-26-27-23(33-22)32-13-19(28)24-16-11-17(29-3)21(31-5)18(12-16)30-4/h8-12H,6-7,13H2,1-5H3,(H,24,28)(H,25,26)
InChIKeyZYXYPEINNHHAMG-UHFFFAOYSA-N
MW488.64 g/mol
LogP5.16
Rot. Bonds11

About 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 27062722) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID27062722
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C23H28N4O4S2/c1-6-14-9-8-10-15(7-2)20(14)25-22-26-27-23(33-22)32-13-19(28)24-16-11-17(29-3)21(31-5)18(12-16)30-4/h8-12H,6-7,13H2,1-5H3,(H,24,28)(H,25,26)
InChIKeyZYXYPEINNHHAMG-UHFFFAOYSA-N
XLogP5.16
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)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

N-(3,4-dimethoxyphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9118590
N-[5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 40832697
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24519559
N-(3,4-dimethoxyphenyl)-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3613069
N-(3-ethylphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9221320
N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24519541
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 16570754
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 2611727
N-(2,6-diethylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4798975
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 8000000
N-[5-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3220484
N-(3,5-dimethoxyphenyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23881198

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 27062722) is 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide is CCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ZYXYPEINNHHAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-6-14-9-8-10-15(7-2)20(14)25-22-26-27-23(33-22)32-13-19(28)24-16-11-17(29-3)21(31-5)18(12-16)30-4/h8-12H,6-7,13H2,1-5H3,(H,24,28)(H,25,26).
What are the key properties of 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 488.64 g/mol, XLogP of 5.16, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 27062722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).