N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide

C20H24N2O3S — CID 97018062

IUPACN-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1
InChIInChI=1S/C20H24N2O3S/c23-20(12-15-7-8-16-5-1-2-6-17(16)11-15)21-18-13-26(24,25)14-19(18)22-9-3-4-10-22/h1-2,5-8,11,18-19H,3-4,9-10,12-14H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyIMGLEOFKGXEBLT-OALUTQOASA-N
MW372.49 g/mol
LogP1.76
Rot. Bonds4

About N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide

N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide (PubChem CID 97018062) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide
PubChem CID97018062
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1
InChIInChI=1S/C20H24N2O3S/c23-20(12-15-7-8-16-5-1-2-6-17(16)11-15)21-18-13-26(24,25)14-19(18)22-9-3-4-10-22/h1-2,5-8,11,18-19H,3-4,9-10,12-14H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyIMGLEOFKGXEBLT-OALUTQOASA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
CID 97017849
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093
N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide
CID 95321388
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide
CID 52523504
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
CID 95302844
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
CID 95281956
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
CID 95313255
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 95619258
N-[(3R,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-6-methylpyridine-2-carboxamide
CID 95288837
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide
CID 100851447

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide (CID 97018062) is N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1.
What is the InChIKey of N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is IMGLEOFKGXEBLT-OALUTQOASA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(12-15-7-8-16-5-1-2-6-17(16)11-15)21-18-13-26(24,25)14-19(18)22-9-3-4-10-22/h1-2,5-8,11,18-19H,3-4,9-10,12-14H2,(H,21,23)/t18-,19-/m0/s1.
What are the key properties of N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide?
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 372.49 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 97018062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).