(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide

C20H16N2O2S2 — CID 51696287

IUPAC(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1sccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H16N2O2S2/c1-13(24-14-7-3-2-4-8-14)18(23)22-19-15(11-12-25-19)20-21-16-9-5-6-10-17(16)26-20/h2-13H,1H3,(H,22,23)/t13-/m1/s1
InChIKeyNWWMIPCVQJYDRP-CYBMUJFWSA-N
MW380.49 g/mol
LogP5.43
Rot. Bonds5

About (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide

(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide (PubChem CID 51696287) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide
PubChem CID51696287
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1sccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H16N2O2S2/c1-13(24-14-7-3-2-4-8-14)18(23)22-19-15(11-12-25-19)20-21-16-9-5-6-10-17(16)26-20/h2-13H,1H3,(H,22,23)/t13-/m1/s1
InChIKeyNWWMIPCVQJYDRP-CYBMUJFWSA-N
XLogP5.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1107338
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 16549812
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2,6-difluorobenzamide
CID 44949763
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 44949831
(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42278690
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide
CID 41340366
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 44949720
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952292
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide
CID 41341043
3-[4-(1,3-benzothiazol-2-yl)phenoxy]butan-2-one
CID 60623850
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 3530730

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide (CID 51696287) is (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide is C[C@@H](Oc1ccccc1)C(=O)Nc1sccc1-c1nc2ccccc2s1.
What is the InChIKey of (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide?
The InChIKey is NWWMIPCVQJYDRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-13(24-14-7-3-2-4-8-14)18(23)22-19-15(11-12-25-19)20-21-16-9-5-6-10-17(16)26-20/h2-13H,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide?
(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide has a molecular weight of 380.49 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 51696287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).