(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide

C22H20N2O3S — CID 100543359

IUPAC(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide
SMILESCCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc4ccccc34)ccc21
InChIInChI=1S/C22H20N2O3S/c1-3-24-18-12-11-16(13-20(18)28-22(24)26)23-21(25)14(2)27-19-10-6-8-15-7-4-5-9-17(15)19/h4-14H,3H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyXTPZLHRRGUEVNL-AWEZNQCLSA-N
MW392.48 g/mol
LogP4.64
Rot. Bonds5

About (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide

(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide (PubChem CID 100543359) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide
PubChem CID100543359
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide
SMILESCCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc4ccccc34)ccc21
InChIInChI=1S/C22H20N2O3S/c1-3-24-18-12-11-16(13-20(18)28-22(24)26)23-21(25)14(2)27-19-10-6-8-15-7-4-5-9-17(15)19/h4-14H,3H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyXTPZLHRRGUEVNL-AWEZNQCLSA-N
XLogP4.64
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.64
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-(2-propan-2-ylphenoxy)propanamide
CID 100544357
(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100544384
2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244800
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)propanamide
CID 100543193
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 133235010
(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100544446
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylsulfanylpropanamide
CID 133203750
2-(2-methoxyphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244855
2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46249436
(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
CID 100544474
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 22577350

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide?
The IUPAC name of (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide (CID 100543359) is (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide is CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc4ccccc34)ccc21.
What is the InChIKey of (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide?
The InChIKey is XTPZLHRRGUEVNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-3-24-18-12-11-16(13-20(18)28-22(24)26)23-21(25)14(2)27-19-10-6-8-15-7-4-5-9-17(15)19/h4-14H,3H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide?
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide has a molecular weight of 392.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 100543359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).