2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

C26H24N2O3S — CID 108747930

IUPAC2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1
InChIInChI=1S/C26H24N2O3S/c1-17(31-23-15-13-22(30-3)14-16-23)25(29)27-21-11-9-19(10-12-21)24-18(2)32-26(28-24)20-7-5-4-6-8-20/h4-17H,1-3H3,(H,27,29)
InChIKeyVSTQPUJQZJVXJX-UHFFFAOYSA-N
MW444.56 g/mol
LogP6.20
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 108747930) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID108747930
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1
InChIInChI=1S/C26H24N2O3S/c1-17(31-23-15-13-22(30-3)14-16-23)25(29)27-21-11-9-19(10-12-21)24-18(2)32-26(28-24)20-7-5-4-6-8-20/h4-17H,1-3H3,(H,27,29)
InChIKeyVSTQPUJQZJVXJX-UHFFFAOYSA-N
XLogP6.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769998
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108747904
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 19203493
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 108747930) is 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is COc1ccc(OC(C)C(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is VSTQPUJQZJVXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-17(31-23-15-13-22(30-3)14-16-23)25(29)27-21-11-9-19(10-12-21)24-18(2)32-26(28-24)20-7-5-4-6-8-20/h4-17H,1-3H3,(H,27,29).
What are the key properties of 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 444.56 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 108747930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).