3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide

C21H20ClN3O3S — CID 55881237

IUPAC3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C21H20ClN3O3S/c22-15-5-3-4-14(10-15)11-21-24-16(13-29-21)12-20(27)25-17-6-1-2-7-18(17)28-9-8-19(23)26/h1-7,10,13H,8-9,11-12H2,(H2,23,26)(H,25,27)
InChIKeyAQZHEFJRGTZZEY-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.82
Rot. Bonds9

About 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide

3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide (PubChem CID 55881237) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
PubChem CID55881237
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C21H20ClN3O3S/c22-15-5-3-4-14(10-15)11-21-24-16(13-29-21)12-20(27)25-17-6-1-2-7-18(17)28-9-8-19(23)26/h1-7,10,13H,8-9,11-12H2,(H2,23,26)(H,25,27)
InChIKeyAQZHEFJRGTZZEY-UHFFFAOYSA-N
XLogP3.82
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 55890045
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46427782
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069309
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55796894
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 55796237
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55762873
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55645634
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide?
The IUPAC name of 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide (CID 55881237) is 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide is NC(=O)CCOc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide?
The InChIKey is AQZHEFJRGTZZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c22-15-5-3-4-14(10-15)11-21-24-16(13-29-21)12-20(27)25-17-6-1-2-7-18(17)28-9-8-19(23)26/h1-7,10,13H,8-9,11-12H2,(H2,23,26)(H,25,27).
What are the key properties of 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide?
3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide has a molecular weight of 429.93 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide is sourced from PubChem (CID 55881237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).