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

C21H22N2O2S — CID 24509083

IUPAC2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-14-4-10-19(11-5-14)25-15(2)21(24)22-12-17-6-8-18(9-7-17)20-13-26-16(3)23-20/h4-11,13,15H,12H2,1-3H3,(H,22,24)
InChIKeyDVXGFATXXJCHEF-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.51
Rot. Bonds6

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

2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide (PubChem CID 24509083) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
PubChem CID24509083
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-14-4-10-19(11-5-14)25-15(2)21(24)22-12-17-6-8-18(9-7-17)20-13-26-16(3)23-20/h4-11,13,15H,12H2,1-3H3,(H,22,24)
InChIKeyDVXGFATXXJCHEF-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 46509267
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568221
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108760271
(2R)-2-(4-ethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342111
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819647

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide (CID 24509083) is 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide is Cc1ccc(OC(C)C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide?
The InChIKey is DVXGFATXXJCHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14-4-10-19(11-5-14)25-15(2)21(24)22-12-17-6-8-18(9-7-17)20-13-26-16(3)23-20/h4-11,13,15H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide?
2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide has a molecular weight of 366.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 24509083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).