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

C18H21NO3S2 — CID 15945229

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCCN(C(=O)CSc1ccc2ccccc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO3S2/c1-2-19(16-9-10-24(21,22)13-16)18(20)12-23-17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11,16H,2,9-10,12-13H2,1H3
InChIKeyYQPLDYWBAHDSHM-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.97
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 15945229) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
PubChem CID15945229
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCCN(C(=O)CSc1ccc2ccccc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO3S2/c1-2-19(16-9-10-24(21,22)13-16)18(20)12-23-17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11,16H,2,9-10,12-13H2,1H3
InChIKeyYQPLDYWBAHDSHM-UHFFFAOYSA-N
XLogP2.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide (CID 15945229) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide is CCN(C(=O)CSc1ccc2ccccc2c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is YQPLDYWBAHDSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-2-19(16-9-10-24(21,22)13-16)18(20)12-23-17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11,16H,2,9-10,12-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 363.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 15945229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).