2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide

C18H20ClN3O4S — CID 132766305

IUPAC2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide
SMILESCc1ncsc1C(=O)N1CCOC(COc2ccc(Cl)cc2)(CC(N)=O)C1
InChIInChI=1S/C18H20ClN3O4S/c1-12-16(27-11-21-12)17(24)22-6-7-26-18(9-22,8-15(20)23)10-25-14-4-2-13(19)3-5-14/h2-5,11H,6-10H2,1H3,(H2,20,23)
InChIKeyCYMCDHATEFFZON-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.27
Rot. Bonds6

About 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide

2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide (PubChem CID 132766305) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide
PubChem CID132766305
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide
SMILESCc1ncsc1C(=O)N1CCOC(COc2ccc(Cl)cc2)(CC(N)=O)C1
InChIInChI=1S/C18H20ClN3O4S/c1-12-16(27-11-21-12)17(24)22-6-7-26-18(9-22,8-15(20)23)10-25-14-4-2-13(19)3-5-14/h2-5,11H,6-10H2,1H3,(H2,20,23)
InChIKeyCYMCDHATEFFZON-UHFFFAOYSA-N
XLogP2.27
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-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

2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
CID 132772464
2-[4-[(3-chlorophenoxy)methyl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 110079884
2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide
CID 132772866
2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide
CID 132765746
2-[2-[(4-fluorophenoxy)methyl]-4-(pyridine-2-carbonyl)morpholin-2-yl]acetamide
CID 132771130
2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025464
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025465
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide
CID 124962637
2-[2-[(4-chlorophenoxy)methyl]-4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 110081801
2-[4-[(4-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]acetamide
CID 132776542
2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide
CID 132780206
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide (CID 132766305) is 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide is Cc1ncsc1C(=O)N1CCOC(COc2ccc(Cl)cc2)(CC(N)=O)C1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide?
The InChIKey is CYMCDHATEFFZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-12-16(27-11-21-12)17(24)22-6-7-26-18(9-22,8-15(20)23)10-25-14-4-2-13(19)3-5-14/h2-5,11H,6-10H2,1H3,(H2,20,23).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide?
2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide is sourced from PubChem (CID 132766305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).