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

C21H22N2O5S — CID 55878725

IUPAC3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOCCOc1cccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1
InChIInChI=1S/C21H22N2O5S/c1-25-8-9-27-18-5-3-4-16(11-18)23-21(24)15-6-7-19(20(10-15)26-2)28-12-17-13-29-14-22-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyINKDTDZJDAHTIH-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.01
Rot. Bonds10

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

3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55878725) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55878725
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOCCOc1cccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1
InChIInChI=1S/C21H22N2O5S/c1-25-8-9-27-18-5-3-4-16(11-18)23-21(24)15-6-7-19(20(10-15)26-2)28-12-17-13-29-14-22-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyINKDTDZJDAHTIH-UHFFFAOYSA-N
XLogP4.01
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55787478
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-[6-(diethylamino)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55784199
N-[1-(3-acetamidophenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46580477
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32579219
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55973162
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86860467

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55878725) is 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is COCCOc1cccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is INKDTDZJDAHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-25-8-9-27-18-5-3-4-16(11-18)23-21(24)15-6-7-19(20(10-15)26-2)28-12-17-13-29-14-22-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,23,24).
What are the key properties of 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 414.48 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55878725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).