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

C26H24N2O3S — CID 1172672

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C26H24N2O3S/c1-30-22-14-12-21(13-15-22)24-19-32-26(27-24)28(17-16-20-8-4-2-5-9-20)25(29)18-31-23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3
InChIKeyWZAUEVWGQMIOML-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.47
Rot. Bonds9

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide (PubChem CID 1172672) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
PubChem CID1172672
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C26H24N2O3S/c1-30-22-14-12-21(13-15-22)24-19-32-26(27-24)28(17-16-20-8-4-2-5-9-20)25(29)18-31-23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3
InChIKeyWZAUEVWGQMIOML-UHFFFAOYSA-N
XLogP5.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide (CID 1172672) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide is COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
The InChIKey is WZAUEVWGQMIOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-30-22-14-12-21(13-15-22)24-19-32-26(27-24)28(17-16-20-8-4-2-5-9-20)25(29)18-31-23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3.
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide has a molecular weight of 444.56 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1172672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).