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

C22H23ClN2O2S — CID 35341887

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1
InChIInChI=1S/C22H23ClN2O2S/c1-14-4-6-17(7-5-14)22-25-18(13-28-22)10-11-24-21(26)16(3)27-19-8-9-20(23)15(2)12-19/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,26)/t16-/m0/s1
InChIKeyZEPPBEAHSUYKTL-INIZCTEOSA-N
MW414.96 g/mol
LogP5.21
Rot. Bonds7

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

(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 35341887) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID35341887
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1
InChIInChI=1S/C22H23ClN2O2S/c1-14-4-6-17(7-5-14)22-25-18(13-28-22)10-11-24-21(26)16(3)27-19-8-9-20(23)15(2)12-19/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,26)/t16-/m0/s1
InChIKeyZEPPBEAHSUYKTL-INIZCTEOSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 55.21
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
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819706
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
(2R)-2-(4-ethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342111
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
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 43843714
(2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35342116
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35574095
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 119549010
2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 43843753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide (CID 35341887) is (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide is Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is ZEPPBEAHSUYKTL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-14-4-6-17(7-5-14)22-25-18(13-28-22)10-11-24-21(26)16(3)27-19-8-9-20(23)15(2)12-19/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,26)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 414.96 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 35341887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).