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

C22H24N2O3S — CID 55662555

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOCCOc1ccc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H24N2O3S/c1-16-3-7-18(8-4-16)22-24-19(15-28-22)13-21(25)23-14-17-5-9-20(10-6-17)27-12-11-26-2/h3-10,15H,11-14H2,1-2H3,(H,23,25)
InChIKeyUATUNPMMERLCEZ-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.00
Rot. Bonds9

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

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55662555) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID55662555
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOCCOc1ccc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H24N2O3S/c1-16-3-7-18(8-4-16)22-24-19(15-28-22)13-21(25)23-14-17-5-9-20(10-6-17)27-12-11-26-2/h3-10,15H,11-14H2,1-2H3,(H,23,25)
InChIKeyUATUNPMMERLCEZ-UHFFFAOYSA-N
XLogP4.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24516189
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 9455412
methyl 4-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 18192876
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799785
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
2-[2-[4-methoxy-3-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990950

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 55662555) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is COCCOc1ccc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is UATUNPMMERLCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16-3-7-18(8-4-16)22-24-19(15-28-22)13-21(25)23-14-17-5-9-20(10-6-17)27-12-11-26-2/h3-10,15H,11-14H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55662555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).