N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide

C16H17NO3S2 — CID 17460247

IUPACN-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S2/c18-16(17-14-7-8-22(19,20)11-14)10-21-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9,14H,7-8,10-11H2,(H,17,18)
InChIKeySBGOTYYSIIMPKJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.24
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 17460247) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID17460247
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S2/c18-16(17-14-7-8-22(19,20)11-14)10-21-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9,14H,7-8,10-11H2,(H,17,18)
InChIKeySBGOTYYSIIMPKJ-UHFFFAOYSA-N
XLogP2.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide (CID 17460247) is N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2c1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is SBGOTYYSIIMPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c18-16(17-14-7-8-22(19,20)11-14)10-21-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9,14H,7-8,10-11H2,(H,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 335.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 17460247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).