N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide

C19H20N2O3S — CID 2238971

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
SMILESCOc1ccc2nc(NC(=O)CCCOc3ccccc3C)sc2c1
InChIInChI=1S/C19H20N2O3S/c1-13-6-3-4-7-16(13)24-11-5-8-18(22)21-19-20-15-10-9-14(23-2)12-17(15)25-19/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,21,22)
InChIKeyCUNKNDGDNUUPEE-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.41
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide (PubChem CID 2238971) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
PubChem CID2238971
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
SMILESCOc1ccc2nc(NC(=O)CCCOc3ccccc3C)sc2c1
InChIInChI=1S/C19H20N2O3S/c1-13-6-3-4-7-16(13)24-11-5-8-18(22)21-19-20-15-10-9-14(23-2)12-17(15)25-19/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,21,22)
InChIKeyCUNKNDGDNUUPEE-UHFFFAOYSA-N
XLogP4.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide 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-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
4-(2-bromo-4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19202280
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
CID 24666179
4-chloro-N-[6-(2-methoxyethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 17244938
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545140
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide (CID 2238971) is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide is COc1ccc2nc(NC(=O)CCCOc3ccccc3C)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide?
The InChIKey is CUNKNDGDNUUPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-6-3-4-7-16(13)24-11-5-8-18(22)21-19-20-15-10-9-14(23-2)12-17(15)25-19/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide has a molecular weight of 356.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 2238971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).