N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide

C13H16F2N2O3S — CID 61057772

IUPACN-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
SMILESO=C(CNCC1CCS(=O)(=O)C1)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3S/c14-10-2-1-3-11(15)13(10)17-12(18)7-16-6-9-4-5-21(19,20)8-9/h1-3,9,16H,4-8H2,(H,17,18)
InChIKeyPBYWWCNXTMFDAE-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.93
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide

N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide (PubChem CID 61057772) 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-dioxothiolan-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
PubChem CID61057772
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
SMILESO=C(CNCC1CCS(=O)(=O)C1)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3S/c14-10-2-1-3-11(15)13(10)17-12(18)7-16-6-9-4-5-21(19,20)8-9/h1-3,9,16H,4-8H2,(H,17,18)
InChIKeyPBYWWCNXTMFDAE-UHFFFAOYSA-N
XLogP0.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63922156
N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
CID 113463807
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 60733465
N-(4-bromophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
CID 61058649
N-[(2-chloro-3-fluorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 112651888
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
1-(2,6-difluorophenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105135759
N-(2,6-difluorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950205
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735418
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
N-(2,6-difluorophenyl)-1,1-dioxothiane-3-carboxamide
CID 110865274

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide (CID 61057772) is N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide is O=C(CNCC1CCS(=O)(=O)C1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide?
The InChIKey is PBYWWCNXTMFDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c14-10-2-1-3-11(15)13(10)17-12(18)7-16-6-9-4-5-21(19,20)8-9/h1-3,9,16H,4-8H2,(H,17,18).
What are the key properties of N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide?
N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide has a molecular weight of 318.34 g/mol, XLogP of 0.93, 5 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-dioxothiolan-3-yl)methylamino]acetamide is sourced from PubChem (CID 61057772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).