N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide

C17H16N2O3S2 — CID 7402809

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C17H16N2O3S2/c20-15(18-7-8-19-16(21)11-24-17(19)22)10-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9H,7-8,10-11H2,(H,18,20)
InChIKeyIHDSZSZPVHAQMK-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 7402809) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID7402809
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C17H16N2O3S2/c20-15(18-7-8-19-16(21)11-24-17(19)22)10-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9H,7-8,10-11H2,(H,18,20)
InChIKeyIHDSZSZPVHAQMK-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2335224
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 4882133
N-(ethylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500763
N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 3918084
5-Naphthalen-2-ylsulfanyl-1,3-thiazolidine-2,4-dione
CID 10540356
5-Naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,4-dione
CID 44280637
5-(Naphthalen-2-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 44280655
2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 2347935
N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 2500692
2-(Naphthalen-2-ylsulfonyl)-1-(pyrrolidin-1-yl)ethanone
CID 851310
4-Naphthalen-2-ylsulfanylazetidin-2-one
CID 86167
2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide
CID 123692183

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide (CID 7402809) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2c1)NCCN1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is IHDSZSZPVHAQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c20-15(18-7-8-19-16(21)11-24-17(19)22)10-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9H,7-8,10-11H2,(H,18,20).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 360.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 7402809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).