N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide

C20H21N3O3S — CID 46467466

IUPACN-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)COCc2nc3ccccc3s2)c1
InChIInChI=1S/C20H21N3O3S/c1-3-18(24)21-14-9-8-13(2)16(10-14)22-19(25)11-26-12-20-23-15-6-4-5-7-17(15)27-20/h4-10H,3,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIBRRERZBCMCBGX-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.11
Rot. Bonds7

About N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide

N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide (PubChem CID 46467466) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide
PubChem CID46467466
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)COCc2nc3ccccc3s2)c1
InChIInChI=1S/C20H21N3O3S/c1-3-18(24)21-14-9-8-13(2)16(10-14)22-19(25)11-26-12-20-23-15-6-4-5-7-17(15)27-20/h4-10H,3,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIBRRERZBCMCBGX-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]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-(1,3-benzothiazol-2-ylmethoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 39969285
2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 9261212
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-sulfamoylphenyl)acetamide
CID 9035089
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9147578
2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide
CID 31745788
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
CID 39966204
N-[3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708084
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 166336255
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
CID 9273392
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7594237
2-(1,3-benzothiazol-2-ylmethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 30395254
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate
CID 9384981

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide (CID 46467466) is N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)COCc2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide?
The InChIKey is IBRRERZBCMCBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-18(24)21-14-9-8-13(2)16(10-14)22-19(25)11-26-12-20-23-15-6-4-5-7-17(15)27-20/h4-10H,3,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide?
N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 46467466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).