N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide

C27H26N2O2S — CID 108770118

IUPACN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)cc1
InChIInChI=1S/C27H26N2O2S/c1-3-6-20-9-15-23(16-10-20)31-17-26(30)28-22-13-11-21(12-14-22)25-18-32-27(29-25)24-8-5-4-7-19(24)2/h4-5,7-16,18H,3,6,17H2,1-2H3,(H,28,30)
InChIKeyNRGJFLQMVXKYTB-UHFFFAOYSA-N
MW442.58 g/mol
LogP6.76
Rot. Bonds8

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

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide (PubChem CID 108770118) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide
PubChem CID108770118
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC NameN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)cc1
InChIInChI=1S/C27H26N2O2S/c1-3-6-20-9-15-23(16-10-20)31-17-26(30)28-22-13-11-21(12-14-22)25-18-32-27(29-25)24-8-5-4-7-19(24)2/h4-5,7-16,18H,3,6,17H2,1-2H3,(H,28,30)
InChIKeyNRGJFLQMVXKYTB-UHFFFAOYSA-N
XLogP6.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770123
5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 108748108
2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 28856284
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-phenylacetamide
CID 28856207
2-bromo-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748042
2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770065

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide (CID 108770118) is N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide?
The InChIKey is NRGJFLQMVXKYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S/c1-3-6-20-9-15-23(16-10-20)31-17-26(30)28-22-13-11-21(12-14-22)25-18-32-27(29-25)24-8-5-4-7-19(24)2/h4-5,7-16,18H,3,6,17H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide?
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide has a molecular weight of 442.58 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 108770118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).