(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide

C19H19ClN2O3S — CID 100544446

IUPAC(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2CC
InChIInChI=1S/C19H19ClN2O3S/c1-3-15(25-16-8-6-5-7-13(16)20)18(23)21-12-9-10-14-17(11-12)26-19(24)22(14)4-2/h5-11,15H,3-4H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyCUYUQHJRGZUVLF-HNNXBMFYSA-N
MW390.89 g/mol
LogP4.53
Rot. Bonds6

About (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide

(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide (PubChem CID 100544446) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
PubChem CID100544446
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2CC
InChIInChI=1S/C19H19ClN2O3S/c1-3-15(25-16-8-6-5-7-13(16)20)18(23)21-12-9-10-14-17(11-12)26-19(24)22(14)4-2/h5-11,15H,3-4H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyCUYUQHJRGZUVLF-HNNXBMFYSA-N
XLogP4.53
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
CID 100544474
(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-naphthalen-1-yloxypropanamide
CID 100543359
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 100544357
(2R)-2-(2-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 100556926
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100548035
(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100544384
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide (CID 100544446) is (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2CC.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide?
The InChIKey is CUYUQHJRGZUVLF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-3-15(25-16-8-6-5-7-13(16)20)18(23)21-12-9-10-14-17(11-12)26-19(24)22(14)4-2/h5-11,15H,3-4H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide?
(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide has a molecular weight of 390.89 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide is sourced from PubChem (CID 100544446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).