N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide

C18H18N2O3S — CID 2948680

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C18H18N2O3S/c1-3-15(23-12-7-5-4-6-8-12)17(21)20-18-19-14-10-9-13(22-2)11-16(14)24-18/h4-11,15H,3H2,1-2H3,(H,19,20,21)
InChIKeyDUUDRJFXWBHQOK-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.10
Rot. Bonds6

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide (PubChem CID 2948680) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
PubChem CID2948680
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C18H18N2O3S/c1-3-15(23-12-7-5-4-6-8-12)17(21)20-18-19-14-10-9-13(22-2)11-16(14)24-18/h4-11,15H,3H2,1-2H3,(H,19,20,21)
InChIKeyDUUDRJFXWBHQOK-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-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide 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-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 24627839
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 1370678
2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 18853993
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
CID 61173509
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)hexanamide
CID 4036340
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide (CID 2948680) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide?
The InChIKey is DUUDRJFXWBHQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-15(23-12-7-5-4-6-8-12)17(21)20-18-19-14-10-9-13(22-2)11-16(14)24-18/h4-11,15H,3H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide 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-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide is sourced from PubChem (CID 2948680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).