(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide

C21H18N2O3S — CID 100531474

IUPAC(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C21H18N2O3S/c1-13(26-17-9-7-14-5-3-4-6-15(14)11-17)20(24)22-16-8-10-18-19(12-16)27-21(25)23(18)2/h3-13H,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyQHELBFSAWDZOTL-CYBMUJFWSA-N
MW378.45 g/mol
LogP4.16
Rot. Bonds4

About (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide

(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide (PubChem CID 100531474) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide
PubChem CID100531474
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C21H18N2O3S/c1-13(26-17-9-7-14-5-3-4-6-15(14)11-17)20(24)22-16-8-10-18-19(12-16)27-21(25)23(18)2/h3-13H,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyQHELBFSAWDZOTL-CYBMUJFWSA-N
XLogP4.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100532433
(2R)-2-(4-methoxyphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100530558
(2S)-N-(3-acetamidophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561585
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)propanamide
CID 100543193
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 100544357
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100532643
2-(4-chloro-3-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244908
2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244800
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
2-(2-methoxyphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244855
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide
CID 100543359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide (CID 100531474) is (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide is C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C.
What is the InChIKey of (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide?
The InChIKey is QHELBFSAWDZOTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-13(26-17-9-7-14-5-3-4-6-15(14)11-17)20(24)22-16-8-10-18-19(12-16)27-21(25)23(18)2/h3-13H,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide?
(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide has a molecular weight of 378.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 100531474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).