N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide

C21H19ClN2O4S — CID 18827652

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C21H19ClN2O4S/c1-2-27-19-10-15(12-25)5-8-18(19)28-13-20(26)24-21-23-11-17(29-21)9-14-3-6-16(22)7-4-14/h3-8,10-12H,2,9,13H2,1H3,(H,23,24,26)
InChIKeyUXWBWBDOCRVQNY-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.62
Rot. Bonds9

About N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide (PubChem CID 18827652) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide
PubChem CID18827652
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C21H19ClN2O4S/c1-2-27-19-10-15(12-25)5-8-18(19)28-13-20(26)24-21-23-11-17(29-21)9-14-3-6-16(22)7-4-14/h3-8,10-12H,2,9,13H2,1H3,(H,23,24,26)
InChIKeyUXWBWBDOCRVQNY-UHFFFAOYSA-N
XLogP4.62
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 18827760
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836350
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 86920219
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide (CID 18827652) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The InChIKey is UXWBWBDOCRVQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-2-27-19-10-15(12-25)5-8-18(19)28-13-20(26)24-21-23-11-17(29-21)9-14-3-6-16(22)7-4-14/h3-8,10-12H,2,9,13H2,1H3,(H,23,24,26).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide has a molecular weight of 430.91 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide is sourced from PubChem (CID 18827652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).