N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide

C16H17NO3S — CID 27710323

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S/c18-16(17-14-8-9-21(19,20)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11H2,(H,17,18)/t14-/m0/s1
InChIKeyBVYRSBOXPKWMOK-AWEZNQCLSA-N
MW303.38 g/mol
LogP1.69
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide (PubChem CID 27710323) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
PubChem CID27710323
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S/c18-16(17-14-8-9-21(19,20)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11H2,(H,17,18)/t14-/m0/s1
InChIKeyBVYRSBOXPKWMOK-AWEZNQCLSA-N
XLogP1.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide (CID 27710323) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is BVYRSBOXPKWMOK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(17-14-8-9-21(19,20)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11H2,(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 303.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 27710323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).