N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide

C20H22N2O3S — CID 53269183

IUPACN-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCCC(C)c1ccc2nc(NC(=O)COc3ccc(OC)cc3)sc2c1
InChIInChI=1S/C20H22N2O3S/c1-4-13(2)14-5-10-17-18(11-14)26-20(21-17)22-19(23)12-25-16-8-6-15(24-3)7-9-16/h5-11,13H,4,12H2,1-3H3,(H,21,22,23)
InChIKeyFQMOCSDEAZUSOG-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.84
Rot. Bonds7

About N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide

N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 53269183) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID53269183
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCCC(C)c1ccc2nc(NC(=O)COc3ccc(OC)cc3)sc2c1
InChIInChI=1S/C20H22N2O3S/c1-4-13(2)14-5-10-17-18(11-14)26-20(21-17)22-19(23)12-25-16-8-6-15(24-3)7-9-16/h5-11,13H,4,12H2,1-3H3,(H,21,22,23)
InChIKeyFQMOCSDEAZUSOG-UHFFFAOYSA-N
XLogP4.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide 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-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 53269191
N-[6-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide
CID 22778343
2-(4-butan-2-ylphenoxy)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 46742320
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(2-bromo-4-ethylphenoxy)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 53269143
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1075302
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 53269114
(2R)-N-[6-[(2S)-butan-2-yl]-1,3-benzothiazol-2-yl]-2-chloropropanamide
CID 28662068
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146

Frequently Asked Questions

What is the IUPAC name of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide (CID 53269183) is N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide is CCC(C)c1ccc2nc(NC(=O)COc3ccc(OC)cc3)sc2c1.
What is the InChIKey of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is FQMOCSDEAZUSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-13(2)14-5-10-17-18(11-14)26-20(21-17)22-19(23)12-25-16-8-6-15(24-3)7-9-16/h5-11,13H,4,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 370.47 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 53269183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).