acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane

C23H71N3O7S — CID 157371649

IUPACacetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane
SMILESC.C.C.C.C.C.C.C.CC(N)=O.CNC(C)=O.COC.COC(C)=O.COC(C)=O.CSC.N
InChIInChI=1S/C3H7NO.2C3H6O2.C2H5NO.C2H6O.C2H6S.8CH4.H3N/c1-3(5)4-2;2*1-3(4)5-2;1-2(3)4;2*1-3-2;;;;;;;;;/h1-2H3,(H,4,5);2*1-2H3;1H3,(H2,3,4);2*1-2H3;8*1H4;1H3
InChIKeyMZXQGWVOBBKBFK-UHFFFAOYSA-N
MW533.90 g/mol
LogP6.10
Rot. Bonds

About acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane

acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane (PubChem CID 157371649) has the molecular formula C23H71N3O7S and a molecular weight of 533.90 g/mol. Its IUPAC name is acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane.

Molecular Properties

Compound Nameacetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane
PubChem CID157371649
Molecular FormulaC23H71N3O7S
Molecular Weight533.90 g/mol
Exact Mass533.50
IUPAC Nameacetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane
SMILESC.C.C.C.C.C.C.C.CC(N)=O.CNC(C)=O.COC.COC(C)=O.COC(C)=O.CSC.N
InChIInChI=1S/C3H7NO.2C3H6O2.C2H5NO.C2H6O.C2H6S.8CH4.H3N/c1-3(5)4-2;2*1-3(4)5-2;1-2(3)4;2*1-3-2;;;;;;;;;/h1-2H3,(H,4,5);2*1-2H3;1H3,(H2,3,4);2*1-2H3;8*1H4;1H3
InChIKeyMZXQGWVOBBKBFK-UHFFFAOYSA-N
XLogP6.10
TPSA169.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.90
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane?
The IUPAC name of acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane (CID 157371649) is acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane.
What is the SMILES notation for acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane?
The canonical SMILES for acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane is C.C.C.C.C.C.C.C.CC(N)=O.CNC(C)=O.COC.COC(C)=O.COC(C)=O.CSC.N.
What is the InChIKey of acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane?
The InChIKey is MZXQGWVOBBKBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.2C3H6O2.C2H5NO.C2H6O.C2H6S.8CH4.H3N/c1-3(5)4-2;2*1-3(4)5-2;1-2(3)4;2*1-3-2;;;;;;;;;/h1-2H3,(H,4,5);2*1-2H3;1H3,(H2,3,4);2*1-2H3;8*1H4;1H3.
What are the key properties of acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane?
acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane has a molecular weight of 533.90 g/mol, XLogP of 6.10, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane is sourced from PubChem (CID 157371649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).