(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide

C23H26N2O2S — CID 35342066

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C23H26N2O2S/c1-15-5-8-19(9-6-15)23-25-20(14-28-23)11-12-24-22(26)18(4)27-21-10-7-16(2)17(3)13-21/h5-10,13-14,18H,11-12H2,1-4H3,(H,24,26)/t18-/m1/s1
InChIKeyNTINUEMIZMXSGE-GOSISDBHSA-N
MW394.54 g/mol
LogP4.86
Rot. Bonds7

About (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide

(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 35342066) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID35342066
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C23H26N2O2S/c1-15-5-8-19(9-6-15)23-25-20(14-28-23)11-12-24-22(26)18(4)27-21-10-7-16(2)17(3)13-21/h5-10,13-14,18H,11-12H2,1-4H3,(H,24,26)/t18-/m1/s1
InChIKeyNTINUEMIZMXSGE-GOSISDBHSA-N
XLogP4.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.86
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
(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-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819706
(2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35342116
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 17165880
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35574095
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 43843714
(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819647
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 (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide (CID 35342066) is (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide is Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is NTINUEMIZMXSGE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-15-5-8-19(9-6-15)23-25-20(14-28-23)11-12-24-22(26)18(4)27-21-10-7-16(2)17(3)13-21/h5-10,13-14,18H,11-12H2,1-4H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 394.54 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 35342066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).