(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide

C21H19N3O2S — CID 97140124

IUPAC(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc2nsnc2c1
InChIInChI=1S/C21H19N3O2S/c1-14(26-18-9-8-16-5-3-4-6-17(16)12-18)21(25)24(2)13-15-7-10-19-20(11-15)23-27-22-19/h3-12,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyUNYSMNDKBSMYAX-CQSZACIVSA-N
MW377.47 g/mol
LogP4.27
Rot. Bonds5

About (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide

(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide (PubChem CID 97140124) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide
PubChem CID97140124
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc2nsnc2c1
InChIInChI=1S/C21H19N3O2S/c1-14(26-18-9-8-16-5-3-4-6-17(16)12-18)21(25)24(2)13-15-7-10-19-20(11-15)23-27-22-19/h3-12,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyUNYSMNDKBSMYAX-CQSZACIVSA-N
XLogP4.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423596
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423595
(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
CID 7786732
(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564420
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea
CID 121497601
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 38011722
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
CID 74237565
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
(2R)-N-[(4-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 92646894
2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide (CID 97140124) is (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide is C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc2nsnc2c1.
What is the InChIKey of (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide?
The InChIKey is UNYSMNDKBSMYAX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14(26-18-9-8-16-5-3-4-6-17(16)12-18)21(25)24(2)13-15-7-10-19-20(11-15)23-27-22-19/h3-12,14H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide?
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide has a molecular weight of 377.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 97140124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).