N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide

C23H26N2O3S — CID 108737608

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCc2csc(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C23H26N2O3S/c1-3-28-20-11-9-18(13-21(20)27-2)10-12-22(26)24-15-19-16-29-23(25-19)14-17-7-5-4-6-8-17/h4-9,11,13,16H,3,10,12,14-15H2,1-2H3,(H,24,26)
InChIKeyCRJBQQBXBFKLOR-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.39
Rot. Bonds10

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide (PubChem CID 108737608) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
PubChem CID108737608
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCc2csc(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C23H26N2O3S/c1-3-28-20-11-9-18(13-21(20)27-2)10-12-22(26)24-15-19-16-29-23(25-19)14-17-7-5-4-6-8-17/h4-9,11,13,16H,3,10,12,14-15H2,1-2H3,(H,24,26)
InChIKeyCRJBQQBXBFKLOR-UHFFFAOYSA-N
XLogP4.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 55890045
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 39896236
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide (CID 108737608) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NCc2csc(Cc3ccccc3)n2)cc1OC.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The InChIKey is CRJBQQBXBFKLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-3-28-20-11-9-18(13-21(20)27-2)10-12-22(26)24-15-19-16-29-23(25-19)14-17-7-5-4-6-8-17/h4-9,11,13,16H,3,10,12,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide has a molecular weight of 410.54 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 108737608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).