(2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide

C15H15ClN2O3S — CID 125141802

IUPAC(2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide
SMILESCC(=O)c1cccc(O[C@H](C)C(=O)NCc2cnc(Cl)s2)c1
InChIInChI=1S/C15H15ClN2O3S/c1-9(19)11-4-3-5-12(6-11)21-10(2)14(20)17-7-13-8-18-15(16)22-13/h3-6,8,10H,7H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyWDIKZWVEKAFZQN-SNVBAGLBSA-N
MW338.82 g/mol
LogP3.08
Rot. Bonds6

About (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide

(2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 125141802) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID125141802
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name(2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide
SMILESCC(=O)c1cccc(O[C@H](C)C(=O)NCc2cnc(Cl)s2)c1
InChIInChI=1S/C15H15ClN2O3S/c1-9(19)11-4-3-5-12(6-11)21-10(2)14(20)17-7-13-8-18-15(16)22-13/h3-6,8,10H,7H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyWDIKZWVEKAFZQN-SNVBAGLBSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide
CID 126812818
2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 51102404
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanamide
CID 141378365
(2S)-2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 52784598
2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 71685051
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735586
N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388890
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide (CID 125141802) is (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide is CC(=O)c1cccc(O[C@H](C)C(=O)NCc2cnc(Cl)s2)c1.
What is the InChIKey of (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is WDIKZWVEKAFZQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-9(19)11-4-3-5-12(6-11)21-10(2)14(20)17-7-13-8-18-15(16)22-13/h3-6,8,10H,7H2,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide?
(2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 338.82 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 125141802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).