N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide

C21H21Cl2N3O4S — CID 3474830

IUPACN-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCCOc1cc(C2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H21Cl2N3O4S/c1-4-29-19-9-14(20-26(13(3)28)25-21(31-20)24-12(2)27)6-8-18(19)30-11-15-5-7-16(22)10-17(15)23/h5-10,20H,4,11H2,1-3H3,(H,24,25,27)
InChIKeyQTFHPQBQTQCLPM-UHFFFAOYSA-N
MW482.39 g/mol
LogP4.97
Rot. Bonds6

About N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide

N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 3474830) has the molecular formula C21H21Cl2N3O4S and a molecular weight of 482.39 g/mol. Its IUPAC name is N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID3474830
Molecular FormulaC21H21Cl2N3O4S
Molecular Weight482.39 g/mol
Exact Mass481.06
IUPAC NameN-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCCOc1cc(C2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H21Cl2N3O4S/c1-4-29-19-9-14(20-26(13(3)28)25-21(31-20)24-12(2)27)6-8-18(19)30-11-15-5-7-16(22)10-17(15)23/h5-10,20H,4,11H2,1-3H3,(H,24,25,27)
InChIKeyQTFHPQBQTQCLPM-UHFFFAOYSA-N
XLogP4.97
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]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-[(2R)-3-acetyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 92702843
N-[3-acetyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 23613317
N-[(2R)-3-acetyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 92702852
N-[3-acetyl-2-[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 23613334
N-[3-acetyl-2-[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 23613314
N-[(2S)-3-acetyl-2-[3-chloro-4-(2-phenoxyethoxy)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 92702985
N-[(2S)-3-acetyl-2-[4-[(2-methylphenyl)methoxy]phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 92702885
[4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] acetate
CID 2872018
N-[3-acetyl-2-[3-bromo-4-[2-(4-methylphenoxy)ethoxy]phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 23613389
methyl 7-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135825415
N-[(2S)-3-acetyl-2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 92702804
N-[(2S)-3-acetyl-2-[5-chloro-2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 92703079

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 3474830) is N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide is CCOc1cc(C2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is QTFHPQBQTQCLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4S/c1-4-29-19-9-14(20-26(13(3)28)25-21(31-20)24-12(2)27)6-8-18(19)30-11-15-5-7-16(22)10-17(15)23/h5-10,20H,4,11H2,1-3H3,(H,24,25,27).
What are the key properties of N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 482.39 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 3474830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).