(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

C20H22N2O3S — CID 100544384

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESCCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)ccc21
InChIInChI=1S/C20H22N2O3S/c1-5-22-16-10-9-15(11-18(16)26-20(22)24)21-19(23)14(4)25-17-8-6-7-12(2)13(17)3/h6-11,14H,5H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyDCZYCOPLDGKKQU-CQSZACIVSA-N
MW370.47 g/mol
LogP4.11
Rot. Bonds5

About (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (PubChem CID 100544384) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
PubChem CID100544384
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESCCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)ccc21
InChIInChI=1S/C20H22N2O3S/c1-5-22-16-10-9-15(11-18(16)26-20(22)24)21-19(23)14(4)25-17-8-6-7-12(2)13(17)3/h6-11,14H,5H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyDCZYCOPLDGKKQU-CQSZACIVSA-N
XLogP4.11
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)propanamide
CID 100543193
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 133235010
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-(2-methylphenoxy)acetamide
CID 22577350
2-(2,4-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 133235126
(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100544446
(2S)-2-(2,4-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100547532
2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244800
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylsulfanylpropanamide
CID 133203750
(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
CID 100544474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (CID 100544384) is (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)ccc21.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is DCZYCOPLDGKKQU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-5-22-16-10-9-15(11-18(16)26-20(22)24)21-19(23)14(4)25-17-8-6-7-12(2)13(17)3/h6-11,14H,5H2,1-4H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 370.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 100544384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).