N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide

C13H16F2N2O3S — CID 63922156

IUPACN-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide
SMILESO=C(CNC1CCCS(=O)(=O)C1)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3S/c14-10-4-1-5-11(15)13(10)17-12(18)7-16-9-3-2-6-21(19,20)8-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)
InChIKeyIABAZXQQFCXNKG-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.07
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide

N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide (PubChem CID 63922156) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide
PubChem CID63922156
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide
SMILESO=C(CNC1CCCS(=O)(=O)C1)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3S/c14-10-4-1-5-11(15)13(10)17-12(18)7-16-9-3-2-6-21(19,20)8-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)
InChIKeyIABAZXQQFCXNKG-UHFFFAOYSA-N
XLogP1.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide
CID 63924725
N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
CID 61057772
N-(2,6-difluorophenyl)-1,1-dioxothiane-3-carboxamide
CID 110865274
2-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997638
N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60693705
N-cyclohexyl-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63921753
N-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114546012
N-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79871200
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
2-amino-N-(1,1-dioxothian-3-yl)-3-fluorobenzamide
CID 63917121
N-cyclopentyl-2-(2,6-difluoroanilino)acetamide
CID 28879037
N-[(5-chloro-2-fluorophenyl)methyl]-1,1-dioxothian-3-amine
CID 115762438

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide (CID 63922156) is N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide is O=C(CNC1CCCS(=O)(=O)C1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide?
The InChIKey is IABAZXQQFCXNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c14-10-4-1-5-11(15)13(10)17-12(18)7-16-9-3-2-6-21(19,20)8-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18).
What are the key properties of N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide?
N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide has a molecular weight of 318.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide is sourced from PubChem (CID 63922156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).