2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide

C20H18ClN3O3S — CID 55603959

IUPAC2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN3O3S/c21-14-5-7-16(8-6-14)27-11-20-23-15(12-28-20)10-19(26)24-17-4-2-1-3-13(17)9-18(22)25/h1-8,12H,9-11H2,(H2,22,25)(H,24,26)
InChIKeyUFDYFVFZDHTFTD-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.58
Rot. Bonds8

About 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide

2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide (PubChem CID 55603959) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
PubChem CID55603959
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN3O3S/c21-14-5-7-16(8-6-14)27-11-20-23-15(12-28-20)10-19(26)24-17-4-2-1-3-13(17)9-18(22)25/h1-8,12H,9-11H2,(H2,22,25)(H,24,26)
InChIKeyUFDYFVFZDHTFTD-UHFFFAOYSA-N
XLogP3.58
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24563087
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 27286822
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009590
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 55448105
N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 35076867
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 24524700
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24524635
ethyl 4-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 27285649
N-(2-acetamido-5-chlorophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 60605397
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
CID 18231102
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55577890
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 34809182

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide (CID 55603959) is 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide is NC(=O)Cc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide?
The InChIKey is UFDYFVFZDHTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-14-5-7-16(8-6-14)27-11-20-23-15(12-28-20)10-19(26)24-17-4-2-1-3-13(17)9-18(22)25/h1-8,12H,9-11H2,(H2,22,25)(H,24,26).
What are the key properties of 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide?
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide has a molecular weight of 415.90 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 55603959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).