2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide

C18H14N2O4S — CID 156858977

IUPAC2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide
SMILESO=C(COc1ccc2ccccc2c1)NSc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O4S/c21-18(19-25-17-7-3-6-15(11-17)20(22)23)12-24-16-9-8-13-4-1-2-5-14(13)10-16/h1-11H,12H2,(H,19,21)
InChIKeyDKMBYIQQKOQMTA-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.95
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide

2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide (PubChem CID 156858977) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide
PubChem CID156858977
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide
SMILESO=C(COc1ccc2ccccc2c1)NSc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O4S/c21-18(19-25-17-7-3-6-15(11-17)20(22)23)12-24-16-9-8-13-4-1-2-5-14(13)10-16/h1-11H,12H2,(H,19,21)
InChIKeyDKMBYIQQKOQMTA-UHFFFAOYSA-N
XLogP3.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 8891819
N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide
CID 156858950
2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 1237523
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583307
naphthalen-2-yl 3-nitrobenzoate
CID 591453
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
(E)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187354

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide (CID 156858977) is 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide is O=C(COc1ccc2ccccc2c1)NSc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide?
The InChIKey is DKMBYIQQKOQMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-18(19-25-17-7-3-6-15(11-17)20(22)23)12-24-16-9-8-13-4-1-2-5-14(13)10-16/h1-11H,12H2,(H,19,21).
What are the key properties of 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide?
2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide has a molecular weight of 354.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 156858977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).