magnesium bis(2-(thiophene-3-carbonylamino)acetate)

C14H12MgN2O6S2 — CID 3055285

IUPACmagnesium bis(2-(thiophene-3-carbonylamino)acetate)
SMILESO=C([O-])CNC(=O)c1ccsc1.O=C([O-])CNC(=O)c1ccsc1.[Mg+2]
InChIInChI=1S/2C7H7NO3S.Mg/c2*9-6(10)3-8-7(11)5-1-2-12-4-5;/h2*1-2,4H,3H2,(H,8,11)(H,9,10);/q;;+2/p-2
InChIKeyYHHSCGZBFKOVIS-UHFFFAOYSA-L
MW392.70 g/mol
LogP-1.93
Rot. Bonds6

About magnesium bis(2-(thiophene-3-carbonylamino)acetate)

magnesium bis(2-(thiophene-3-carbonylamino)acetate) (PubChem CID 3055285) has the molecular formula C14H12MgN2O6S2 and a molecular weight of 392.70 g/mol. Its IUPAC name is magnesium bis(2-(thiophene-3-carbonylamino)acetate).

Molecular Properties

Compound Namemagnesium bis(2-(thiophene-3-carbonylamino)acetate)
PubChem CID3055285
Molecular FormulaC14H12MgN2O6S2
Molecular Weight392.70 g/mol
Exact Mass392.00
IUPAC Namemagnesium bis(2-(thiophene-3-carbonylamino)acetate)
SMILESO=C([O-])CNC(=O)c1ccsc1.O=C([O-])CNC(=O)c1ccsc1.[Mg+2]
InChIInChI=1S/2C7H7NO3S.Mg/c2*9-6(10)3-8-7(11)5-1-2-12-4-5;/h2*1-2,4H,3H2,(H,8,11)(H,9,10);/q;;+2/p-2
InChIKeyYHHSCGZBFKOVIS-UHFFFAOYSA-L
XLogP-1.93
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.70
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-((3-methoxytetrahydrothiophen-3-yl)methyl)thiophene-3-carboxamide
CID 71804815
2-(Thiophen-3-ylformamido)acetic acid
CID 3055286
N-[2-oxo-2-(propylamino)ethyl]thiophene-3-carboxamide
CID 45850141
(2S)-4-methylsulfanyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 21119038
N-(3-Thienylcarbonyl)-DL-methionine
CID 113416
3-Fluoro-2-(thiophene-3-carbonylamino)propanoic acid
CID 121946200
3-Fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 121946201
2-(Thiophene-3-carbonylamino)propanoic acid
CID 16777729
Methyl 2-(thiophene-3-carbonylamino)acetate
CID 19427295
Methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate
CID 19985479
(2S)-2-(thiophene-3-carbonylamino)propanoic acid
CID 30052435
Methyl N-(thiophene-3-carbonyl)alaninate
CID 60656692

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-(thiophene-3-carbonylamino)acetate)?
The IUPAC name of magnesium bis(2-(thiophene-3-carbonylamino)acetate) (CID 3055285) is magnesium bis(2-(thiophene-3-carbonylamino)acetate).
What is the SMILES notation for magnesium bis(2-(thiophene-3-carbonylamino)acetate)?
The canonical SMILES for magnesium bis(2-(thiophene-3-carbonylamino)acetate) is O=C([O-])CNC(=O)c1ccsc1.O=C([O-])CNC(=O)c1ccsc1.[Mg+2].
What is the InChIKey of magnesium bis(2-(thiophene-3-carbonylamino)acetate)?
The InChIKey is YHHSCGZBFKOVIS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H7NO3S.Mg/c2*9-6(10)3-8-7(11)5-1-2-12-4-5;/h2*1-2,4H,3H2,(H,8,11)(H,9,10);/q;;+2/p-2.
What are the key properties of magnesium bis(2-(thiophene-3-carbonylamino)acetate)?
magnesium bis(2-(thiophene-3-carbonylamino)acetate) has a molecular weight of 392.70 g/mol, XLogP of -1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-(thiophene-3-carbonylamino)acetate) is sourced from PubChem (CID 3055285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).