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

C26H23ClN2O2S — CID 108761245

IUPAC2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)COc4ccc(Cl)c(C)c4)cc3)n2)cc1
InChIInChI=1S/C26H23ClN2O2S/c1-17-3-7-20(8-4-17)24-16-32-26(29-24)21-9-5-19(6-10-21)14-28-25(30)15-31-22-11-12-23(27)18(2)13-22/h3-13,16H,14-15H2,1-2H3,(H,28,30)
InChIKeyANZWMFBPZQUCBS-UHFFFAOYSA-N
MW463.00 g/mol
LogP6.44
Rot. Bonds7

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

2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide (PubChem CID 108761245) has the molecular formula C26H23ClN2O2S and a molecular weight of 463.00 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
PubChem CID108761245
Molecular FormulaC26H23ClN2O2S
Molecular Weight463.00 g/mol
Exact Mass462.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)COc4ccc(Cl)c(C)c4)cc3)n2)cc1
InChIInChI=1S/C26H23ClN2O2S/c1-17-3-7-20(8-4-17)24-16-32-26(29-24)21-9-5-19(6-10-21)14-28-25(30)15-31-22-11-12-23(27)18(2)13-22/h3-13,16H,14-15H2,1-2H3,(H,28,30)
InChIKeyANZWMFBPZQUCBS-UHFFFAOYSA-N
XLogP6.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.00
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738431
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 5140843
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 7846114
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
2-(4-chloro-3-methylphenoxy)-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
CID 17018513
2-(3,5-dimethylphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738591
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide (CID 108761245) is 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide is Cc1ccc(-c2csc(-c3ccc(CNC(=O)COc4ccc(Cl)c(C)c4)cc3)n2)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide?
The InChIKey is ANZWMFBPZQUCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2S/c1-17-3-7-20(8-4-17)24-16-32-26(29-24)21-9-5-19(6-10-21)14-28-25(30)15-31-22-11-12-23(27)18(2)13-22/h3-13,16H,14-15H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide has a molecular weight of 463.00 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 108761245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).