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

C28H28N2O2S — CID 108769998

IUPACN-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)C(C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C28H28N2O2S/c1-18(2)24-12-8-9-13-25(24)32-19(3)27(31)29-23-16-14-21(15-17-23)26-20(4)33-28(30-26)22-10-6-5-7-11-22/h5-19H,1-4H3,(H,29,31)
InChIKeyMJZISGMXFITAPY-UHFFFAOYSA-N
MW456.61 g/mol
LogP7.31
Rot. Bonds7

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

N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 108769998) has the molecular formula C28H28N2O2S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID108769998
Molecular FormulaC28H28N2O2S
Molecular Weight456.61 g/mol
Exact Mass456.19
IUPAC NameN-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)C(C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C28H28N2O2S/c1-18(2)24-12-8-9-13-25(24)32-19(3)27(31)29-23-16-14-21(15-17-23)26-20(4)33-28(30-26)22-10-6-5-7-11-22/h5-19H,1-4H3,(H,29,31)
InChIKeyMJZISGMXFITAPY-UHFFFAOYSA-N
XLogP7.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108747904
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133261870
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43907362
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
(2R)-N-(4-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92681869
ethyl 4-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 94018798
N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 17426414
N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 108769998) is N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide is Cc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)C(C)Oc2ccccc2C(C)C)cc1.
What is the InChIKey of N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is MJZISGMXFITAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2S/c1-18(2)24-12-8-9-13-25(24)32-19(3)27(31)29-23-16-14-21(15-17-23)26-20(4)33-28(30-26)22-10-6-5-7-11-22/h5-19H,1-4H3,(H,29,31).
What are the key properties of N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 456.61 g/mol, XLogP of 7.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108769998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).