(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide

C20H20N2OS — CID 940434

IUPAC(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide
SMILESO=C(Nc1nc2ccccc2s1)[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C20H20N2OS/c23-19(22-20-21-16-12-6-7-13-17(16)24-20)18(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,18H,4-5,10-11H2,(H,21,22,23)/t18-/m0/s1
InChIKeyLKGOZYVWSIGYAR-SFHVURJKSA-N
MW336.46 g/mol
LogP5.21
Rot. Bonds4

About (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide

(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide (PubChem CID 940434) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide
PubChem CID940434
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide
SMILESO=C(Nc1nc2ccccc2s1)[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C20H20N2OS/c23-19(22-20-21-16-12-6-7-13-17(16)24-20)18(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,18H,4-5,10-11H2,(H,21,22,23)/t18-/m0/s1
InChIKeyLKGOZYVWSIGYAR-SFHVURJKSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 5211016
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide
CID 25487919
N,N'-bis(1,3-benzothiazol-2-yl)-2-[(1R)-cyclopent-2-en-1-yl]propanediamide
CID 99638162
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide (CID 940434) is (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide is O=C(Nc1nc2ccccc2s1)[C@@H](c1ccccc1)C1CCCC1.
What is the InChIKey of (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide?
The InChIKey is LKGOZYVWSIGYAR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2OS/c23-19(22-20-21-16-12-6-7-13-17(16)24-20)18(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,18H,4-5,10-11H2,(H,21,22,23)/t18-/m0/s1.
What are the key properties of (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide?
(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide has a molecular weight of 336.46 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide is sourced from PubChem (CID 940434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).