2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide

C13H17FN2O3S — CID 63924725

IUPAC2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CNC1CCCS(=O)(=O)C1)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O3S/c14-11-5-1-2-6-12(11)16-13(17)8-15-10-4-3-7-20(18,19)9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeyHEOKDQPIGMSOTF-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.93
Rot. Bonds4

About 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide

2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide (PubChem CID 63924725) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide
PubChem CID63924725
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CNC1CCCS(=O)(=O)C1)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O3S/c14-11-5-1-2-6-12(11)16-13(17)8-15-10-4-3-7-20(18,19)9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeyHEOKDQPIGMSOTF-UHFFFAOYSA-N
XLogP0.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63922156
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
CID 109001684
2-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997638
N-cyclohexyl-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63921753
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
2-[[(1,1-dioxothian-3-yl)amino]methyl]phenol
CID 63924287
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
2-(cyclopentylamino)-N-[2-(dimethylamino)phenyl]acetamide
CID 60849441
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
(2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-(2-fluorophenyl)-3-methylbutanamide
CID 39311196

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide (CID 63924725) is 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide is O=C(CNC1CCCS(=O)(=O)C1)Nc1ccccc1F.
What is the InChIKey of 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide?
The InChIKey is HEOKDQPIGMSOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-11-5-1-2-6-12(11)16-13(17)8-15-10-4-3-7-20(18,19)9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17).
What are the key properties of 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide?
2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide has a molecular weight of 300.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 63924725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).