(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide

C21H21ClN2O2S — CID 26819706

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-13-4-6-16(7-5-13)21-24-17(12-27-21)11-23-20(25)15(3)26-18-8-9-19(22)14(2)10-18/h4-10,12,15H,11H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyALAOLPUSCAZBGJ-OAHLLOKOSA-N
MW400.93 g/mol
LogP5.16
Rot. Bonds6

About (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 26819706) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID26819706
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-13-4-6-16(7-5-13)21-24-17(12-27-21)11-23-20(25)15(3)26-18-8-9-19(22)14(2)10-18/h4-10,12,15H,11H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyALAOLPUSCAZBGJ-OAHLLOKOSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 43843190
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35341887
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 17165880
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774
2-(4-tert-butylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 23613110
(2R)-2-(4-ethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342111
(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819647
(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819672
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide (CID 26819706) is (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide is Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is ALAOLPUSCAZBGJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-13-4-6-16(7-5-13)21-24-17(12-27-21)11-23-20(25)15(3)26-18-8-9-19(22)14(2)10-18/h4-10,12,15H,11H2,1-3H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 400.93 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 26819706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).