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

C19H19N3O3S — CID 24627839

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nc2ccc(NC(C)=O)cc2s1
InChIInChI=1S/C19H19N3O3S/c1-3-16(25-14-7-5-4-6-8-14)18(24)22-19-21-15-10-9-13(20-12(2)23)11-17(15)26-19/h4-11,16H,3H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyLFMOUFODSBBMEP-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.05
Rot. Bonds6

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

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide (PubChem CID 24627839) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
PubChem CID24627839
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nc2ccc(NC(C)=O)cc2s1
InChIInChI=1S/C19H19N3O3S/c1-3-16(25-14-7-5-4-6-8-14)18(24)22-19-21-15-10-9-13(20-12(2)23)11-17(15)26-19/h4-11,16H,3H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyLFMOUFODSBBMEP-UHFFFAOYSA-N
XLogP4.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 2948680
(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
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 35122221
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-amino-3-methylbutanamide;hydrochloride
CID 119277664
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(2-phenylethoxy)butanamide
CID 55832376
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138822

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide (CID 24627839) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1nc2ccc(NC(C)=O)cc2s1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide?
The InChIKey is LFMOUFODSBBMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-16(25-14-7-5-4-6-8-14)18(24)22-19-21-15-10-9-13(20-12(2)23)11-17(15)26-19/h4-11,16H,3H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide has a molecular weight of 369.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide is sourced from PubChem (CID 24627839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).