N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide

C17H20N2O4S — CID 112978632

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide
SMILESCCN(C(=O)COc1ccc2ncccc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N2O4S/c1-2-19(14-7-9-24(21,22)12-14)17(20)11-23-15-5-6-16-13(10-15)4-3-8-18-16/h3-6,8,10,14H,2,7,9,11-12H2,1H3
InChIKeyRBSCRWXYNDPVAZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.65
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide (PubChem CID 112978632) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide
PubChem CID112978632
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide
SMILESCCN(C(=O)COc1ccc2ncccc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N2O4S/c1-2-19(14-7-9-24(21,22)12-14)17(20)11-23-15-5-6-16-13(10-15)4-3-8-18-16/h3-6,8,10,14H,2,7,9,11-12H2,1H3
InChIKeyRBSCRWXYNDPVAZ-UHFFFAOYSA-N
XLogP1.65
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 16540663
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-naphthalen-1-yloxyacetamide
CID 7851016
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 8008408
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7908193
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55304815
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
2-(6-bromoquinazolin-4-yl)oxy-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 2998405
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518722
2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethoxy]-4-methylbenzoic acid
CID 51515598
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7986144
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8013845
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide (CID 112978632) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide is CCN(C(=O)COc1ccc2ncccc2c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide?
The InChIKey is RBSCRWXYNDPVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-19(14-7-9-24(21,22)12-14)17(20)11-23-15-5-6-16-13(10-15)4-3-8-18-16/h3-6,8,10,14H,2,7,9,11-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide has a molecular weight of 348.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide is sourced from PubChem (CID 112978632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).