N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

C20H20N2O4S — CID 86981514

IUPACN-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1
InChIInChI=1S/C20H20N2O4S/c1-24-10-11-25-17-8-6-15(7-9-17)22-20(23)18-4-2-3-5-19(18)26-12-16-13-27-14-21-16/h2-9,13-14H,10-12H2,1H3,(H,22,23)
InChIKeyNYLXZONUCNGNCU-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.00
Rot. Bonds9

About N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86981514) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86981514
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1
InChIInChI=1S/C20H20N2O4S/c1-24-10-11-25-17-8-6-15(7-9-17)22-20(23)18-4-2-3-5-19(18)26-12-16-13-27-14-21-16/h2-9,13-14H,10-12H2,1H3,(H,22,23)
InChIKeyNYLXZONUCNGNCU-UHFFFAOYSA-N
XLogP4.00
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N-(4-ethoxy-3-methoxyphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816507
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87004703
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628
2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 17130609

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86981514) is N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is COCCOc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is NYLXZONUCNGNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-24-10-11-25-17-8-6-15(7-9-17)22-20(23)18-4-2-3-5-19(18)26-12-16-13-27-14-21-16/h2-9,13-14H,10-12H2,1H3,(H,22,23).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 384.46 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86981514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).