N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide

C16H17NO3S — CID 27710322

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S/c18-16(17-14-8-9-21(19,20)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11H2,(H,17,18)/t14-/m1/s1
InChIKeyBVYRSBOXPKWMOK-CQSZACIVSA-N
MW303.38 g/mol
LogP1.69
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide (PubChem CID 27710322) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
PubChem CID27710322
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S/c18-16(17-14-8-9-21(19,20)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11H2,(H,17,18)/t14-/m1/s1
InChIKeyBVYRSBOXPKWMOK-CQSZACIVSA-N
XLogP1.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 3461875
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 71932285
1-(1,1-dioxothiolan-3-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 47158148
1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105087928
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
CID 71702598
N-(3-methylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 114549688
2-[2-(aminomethyl)phenyl]-N-(1,1-dioxothian-4-yl)acetamide
CID 81317741
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide (CID 27710322) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is BVYRSBOXPKWMOK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(17-14-8-9-21(19,20)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11H2,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 303.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 27710322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).