(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide

C19H19FN2O3S — CID 100544474

IUPAC(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC
InChIInChI=1S/C19H19FN2O3S/c1-3-16(25-14-8-5-12(20)6-9-14)18(23)21-13-7-10-15-17(11-13)26-19(24)22(15)4-2/h5-11,16H,3-4H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyRBJKHUOYWVKCRI-MRXNPFEDSA-N
MW374.44 g/mol
LogP4.02
Rot. Bonds6

About (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide

(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide (PubChem CID 100544474) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
PubChem CID100544474
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC
InChIInChI=1S/C19H19FN2O3S/c1-3-16(25-14-8-5-12(20)6-9-14)18(23)21-13-7-10-15-17(11-13)26-19(24)22(15)4-2/h5-11,16H,3-4H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyRBJKHUOYWVKCRI-MRXNPFEDSA-N
XLogP4.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100547502
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100548035
(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100544446
2-(2,4-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 133235126
(2S)-2-(2,4-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100547532
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)propanamide
CID 100543193
N-(9-ethylcarbazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 17166239
(2R)-2-(4-methoxyphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100530558
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 133235029
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529
1-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-(4-fluorophenyl)thiourea
CID 100548674

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide (CID 100544474) is (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC.
What is the InChIKey of (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is RBJKHUOYWVKCRI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-3-16(25-14-8-5-12(20)6-9-14)18(23)21-13-7-10-15-17(11-13)26-19(24)22(15)4-2/h5-11,16H,3-4H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide?
(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide has a molecular weight of 374.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 100544474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).