N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide

C18H18N2O3S — CID 131928789

IUPACN-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccc3scnc3c2)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-22-14-5-7-15(8-6-14)23-12(2)18(21)20-13-4-9-17-16(10-13)19-11-24-17/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeySUXDKDZWJOGGRM-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.10
Rot. Bonds6

About N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide

N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide (PubChem CID 131928789) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide
PubChem CID131928789
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccc3scnc3c2)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-22-14-5-7-15(8-6-14)23-12(2)18(21)20-13-4-9-17-16(10-13)19-11-24-17/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeySUXDKDZWJOGGRM-UHFFFAOYSA-N
XLogP4.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide 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

2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
N-[4-(dimethylamino)phenyl]-2-(4-ethoxyphenoxy)propanamide
CID 53267102
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 7276374
methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8639971
2-(4-ethoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53267177
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935528
2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 43955384
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 8679739
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide (CID 131928789) is N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide is CCOc1ccc(OC(C)C(=O)Nc2ccc3scnc3c2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide?
The InChIKey is SUXDKDZWJOGGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-22-14-5-7-15(8-6-14)23-12(2)18(21)20-13-4-9-17-16(10-13)19-11-24-17/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide?
N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide has a molecular weight of 342.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide is sourced from PubChem (CID 131928789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).