2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C21H19ClN2O3S — CID 8891121

IUPAC2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-3-19(25)17-10-15(22)7-8-20(17)27-11-21(26)24-16-6-4-5-14(9-16)18-12-28-13(2)23-18/h4-10,12H,3,11H2,1-2H3,(H,24,26)
InChIKeyWHIPHDAZYMVORZ-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.38
Rot. Bonds7

About 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 8891121) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID8891121
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-3-19(25)17-10-15(22)7-8-20(17)27-11-21(26)24-16-6-4-5-14(9-16)18-12-28-13(2)23-18/h4-10,12H,3,11H2,1-2H3,(H,24,26)
InChIKeyWHIPHDAZYMVORZ-UHFFFAOYSA-N
XLogP5.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 30859534
2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108751372
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
4-(5-chloro-2-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 108727349
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
CID 30858687
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 8891121) is 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is WHIPHDAZYMVORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-3-19(25)17-10-15(22)7-8-20(17)27-11-21(26)24-16-6-4-5-14(9-16)18-12-28-13(2)23-18/h4-10,12H,3,11H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 414.91 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 8891121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).