N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide

C26H24N2O2S — CID 1175901

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C26H24N2O2S/c1-20-12-14-22(15-13-20)24-19-31-26(27-24)28(17-16-21-8-4-2-5-9-21)25(29)18-30-23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3
InChIKeyGWHOZYNRJGBXGU-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.77
Rot. Bonds8

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide (PubChem CID 1175901) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
PubChem CID1175901
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C26H24N2O2S/c1-20-12-14-22(15-13-20)24-19-31-26(27-24)28(17-16-21-8-4-2-5-9-21)25(29)18-30-23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3
InChIKeyGWHOZYNRJGBXGU-UHFFFAOYSA-N
XLogP5.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-acetamide
CID 656248
N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1172672
N-Benzyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175894
N-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1176056
N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)benzamide
CID 3170657
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-methyl-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 3170664
2-Fluoro-N-(2-methoxy-ethyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 3170702
N-Benzyl-2-(4-chloro-phenoxy)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 3173505
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 5203987

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide (CID 1175901) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide is Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The InChIKey is GWHOZYNRJGBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-20-12-14-22(15-13-20)24-19-31-26(27-24)28(17-16-21-8-4-2-5-9-21)25(29)18-30-23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3.
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide has a molecular weight of 428.56 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1175901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).