2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide

C17H20N2O3S — CID 75521076

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
SMILESCCc1cc(NC(=O)CC2CCS(=O)(=O)C2)c2ccccc2n1
InChIInChI=1S/C17H20N2O3S/c1-2-13-10-16(14-5-3-4-6-15(14)18-13)19-17(20)9-12-7-8-23(21,22)11-12/h3-6,10,12H,2,7-9,11H2,1H3,(H,18,19,20)
InChIKeyJTMAKFDXDNVUOZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.56
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide (PubChem CID 75521076) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
PubChem CID75521076
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
SMILESCCc1cc(NC(=O)CC2CCS(=O)(=O)C2)c2ccccc2n1
InChIInChI=1S/C17H20N2O3S/c1-2-13-10-16(14-5-3-4-6-15(14)18-13)19-17(20)9-12-7-8-23(21,22)11-12/h3-6,10,12H,2,7-9,11H2,1H3,(H,18,19,20)
InChIKeyJTMAKFDXDNVUOZ-UHFFFAOYSA-N
XLogP2.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620362
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620361
N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408989
2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 78814283
2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64795292
N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95981194
N-(5-bromo-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 43806574
N-(4-butylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 18590688
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
N-(2,4-difluorophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9209582
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide (CID 75521076) is 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide is CCc1cc(NC(=O)CC2CCS(=O)(=O)C2)c2ccccc2n1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide?
The InChIKey is JTMAKFDXDNVUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-13-10-16(14-5-3-4-6-15(14)18-13)19-17(20)9-12-7-8-23(21,22)11-12/h3-6,10,12H,2,7-9,11H2,1H3,(H,18,19,20).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide is sourced from PubChem (CID 75521076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).