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

C16H17NO4S — CID 4614276

IUPACN-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO4S/c18-16(17-13-8-9-22(19,20)11-13)10-21-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,17,18)
InChIKeyONBBCOPPHRRPQK-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.52
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide (PubChem CID 4614276) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide
PubChem CID4614276
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO4S/c18-16(17-13-8-9-22(19,20)11-13)10-21-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,17,18)
InChIKeyONBBCOPPHRRPQK-UHFFFAOYSA-N
XLogP1.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)propanamide
CID 2938849
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 3129057
N-isopropyl-2-(naphthalen-1-yloxy)acetamide
CID 3661886
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 2999107
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide
CID 4885216
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 24982884
2-(2,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2941148
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 6213245
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 2997518
2-(4-tert-butylphenoxy)-N-(1,1-dioxidotetrahydro-3-thienyl)acetamide
CID 2939594
N-[(naphthalen-1-yloxy)acetyl]methionine
CID 3614168

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide (CID 4614276) is N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide?
The InChIKey is ONBBCOPPHRRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c18-16(17-13-8-9-22(19,20)11-13)10-21-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide?
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-yloxyacetamide has a molecular weight of 319.38 g/mol, XLogP of 1.52, 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-1-yloxyacetamide is sourced from PubChem (CID 4614276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).