N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide

C14H14N2O3S — CID 2190208

IUPACN-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide
SMILESCCN1C(=O)/C(=C/c2ccccc2NC(C)=O)OC1=S
InChIInChI=1S/C14H14N2O3S/c1-3-16-13(18)12(19-14(16)20)8-10-6-4-5-7-11(10)15-9(2)17/h4-8H,3H2,1-2H3,(H,15,17)/b12-8-
InChIKeyGCABRXGHTZDUGF-WQLSENKSSA-N
MW290.34 g/mol
LogP2.15
Rot. Bonds3

About N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide

N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide (PubChem CID 2190208) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide
PubChem CID2190208
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide
SMILESCCN1C(=O)/C(=C/c2ccccc2NC(C)=O)OC1=S
InChIInChI=1S/C14H14N2O3S/c1-3-16-13(18)12(19-14(16)20)8-10-6-4-5-7-11(10)15-9(2)17/h4-8H,3H2,1-2H3,(H,15,17)/b12-8-
InChIKeyGCABRXGHTZDUGF-WQLSENKSSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide (CID 2190208) is N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide is CCN1C(=O)/C(=C/c2ccccc2NC(C)=O)OC1=S.
What is the InChIKey of N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide?
The InChIKey is GCABRXGHTZDUGF-WQLSENKSSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-3-16-13(18)12(19-14(16)20)8-10-6-4-5-7-11(10)15-9(2)17/h4-8H,3H2,1-2H3,(H,15,17)/b12-8-.
What are the key properties of N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide?
N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide has a molecular weight of 290.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 2190208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).