N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide

C18H17NO2S2 — CID 43066911

IUPACN-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H17NO2S2/c20-17(13-23-18-6-3-11-22-18)19-9-10-21-16-8-7-14-4-1-2-5-15(14)12-16/h1-8,11-12H,9-10,13H2,(H,19,20)
InChIKeyOXTGYHSAYVIMJQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.19
Rot. Bonds7

About N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide

N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 43066911) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID43066911
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC NameN-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H17NO2S2/c20-17(13-23-18-6-3-11-22-18)19-9-10-21-16-8-7-14-4-1-2-5-15(14)12-16/h1-8,11-12H,9-10,13H2,(H,19,20)
InChIKeyOXTGYHSAYVIMJQ-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
CID 103919645
3-amino-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 119694969
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 90524092
2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide
CID 56818402
N-quinolin-3-yl-2-thiophen-2-ylsulfanylacetamide
CID 23972923
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate
CID 103958096
[2-oxo-2-(2-phenoxyethylamino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8609515
naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
CID 8886119

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide (CID 43066911) is N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)NCCOc1ccc2ccccc2c1.
What is the InChIKey of N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is OXTGYHSAYVIMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c20-17(13-23-18-6-3-11-22-18)19-9-10-21-16-8-7-14-4-1-2-5-15(14)12-16/h1-8,11-12H,9-10,13H2,(H,19,20).
What are the key properties of N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide?
N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 343.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 43066911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).