N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide

C14H14N2O3S — CID 3089085

IUPACN-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide
SMILESCCN1C(=O)/C(=C\N(C(C)=O)c2ccccc2)OC1=S
InChIInChI=1S/C14H14N2O3S/c1-3-15-13(18)12(19-14(15)20)9-16(10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+
InChIKeyYSGFYHBMVFGIPZ-FMIVXFBMSA-N
MW290.34 g/mol
LogP2.04
Rot. Bonds3

About N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide

N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide (PubChem CID 3089085) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide
PubChem CID3089085
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide
SMILESCCN1C(=O)/C(=C\N(C(C)=O)c2ccccc2)OC1=S
InChIInChI=1S/C14H14N2O3S/c1-3-15-13(18)12(19-14(15)20)9-16(10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+
InChIKeyYSGFYHBMVFGIPZ-FMIVXFBMSA-N
XLogP2.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide?
The IUPAC name of N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide (CID 3089085) is N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide is CCN1C(=O)/C(=C\N(C(C)=O)c2ccccc2)OC1=S.
What is the InChIKey of N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide?
The InChIKey is YSGFYHBMVFGIPZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-3-15-13(18)12(19-14(15)20)9-16(10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+.
What are the key properties of N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide?
N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide has a molecular weight of 290.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-N-phenylacetamide is sourced from PubChem (CID 3089085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).