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

C12H12F2N2O3S — CID 60693705

IUPACN-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
SMILESO=C(CNC1C=CS(=O)(=O)C1)Nc1c(F)cccc1F
InChIInChI=1S/C12H12F2N2O3S/c13-9-2-1-3-10(14)12(9)16-11(17)6-15-8-4-5-20(18,19)7-8/h1-5,8,15H,6-7H2,(H,16,17)
InChIKeyJEJCJUFNGMEKIR-UHFFFAOYSA-N
MW302.30 g/mol
LogP0.80
Rot. Bonds4

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

N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide (PubChem CID 60693705) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
PubChem CID60693705
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC NameN-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
SMILESO=C(CNC1C=CS(=O)(=O)C1)Nc1c(F)cccc1F
InChIInChI=1S/C12H12F2N2O3S/c13-9-2-1-3-10(14)12(9)16-11(17)6-15-8-4-5-20(18,19)7-8/h1-5,8,15H,6-7H2,(H,16,17)
InChIKeyJEJCJUFNGMEKIR-UHFFFAOYSA-N
XLogP0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 60693984
N-(2,6-difluorophenyl)-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63922156
N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60694060
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46745022
N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
CID 61057772
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]propanamide
CID 43626499
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-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294
N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
CID 113463807

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide (CID 60693705) is N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide is O=C(CNC1C=CS(=O)(=O)C1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The InChIKey is JEJCJUFNGMEKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c13-9-2-1-3-10(14)12(9)16-11(17)6-15-8-4-5-20(18,19)7-8/h1-5,8,15H,6-7H2,(H,16,17).
What are the key properties of N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide has a molecular weight of 302.30 g/mol, XLogP of 0.80, 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-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide is sourced from PubChem (CID 60693705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).