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

C14H14N2O2S2 — CID 6230404

IUPACN-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide
SMILESCCN1SC(=O)/C(=C\N(C(C)=O)c2ccccc2)C1=S
InChIInChI=1S/C14H14N2O2S2/c1-3-16-13(19)12(14(18)20-16)9-15(10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9-
InChIKeyQGSLOHFYJJMZBO-XFXZXTDPSA-N
MW306.41 g/mol
LogP2.76
Rot. Bonds3

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

N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide (PubChem CID 6230404) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide
PubChem CID6230404
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide
SMILESCCN1SC(=O)/C(=C\N(C(C)=O)c2ccccc2)C1=S
InChIInChI=1S/C14H14N2O2S2/c1-3-16-13(19)12(14(18)20-16)9-15(10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9-
InChIKeyQGSLOHFYJJMZBO-XFXZXTDPSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide
CID 5294505
N-[(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
CID 3577239
N-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-phenylacetamide
CID 5187139
N-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-phenylacetamide
CID 21233395
N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
CID 4210056
N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide
CID 110272679
N-[[(2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-N-phenylacetamide
CID 135887982
N-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
CID 20695756
N-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide
CID 2827593
N-(4-methoxyphenyl)-N-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]acetamide
CID 916103
N-(4-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]acetamide
CID 916104
N-(4-chlorophenyl)-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]acetamide
CID 3853969

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide?
The IUPAC name of N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide (CID 6230404) is N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide is CCN1SC(=O)/C(=C\N(C(C)=O)c2ccccc2)C1=S.
What is the InChIKey of N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide?
The InChIKey is QGSLOHFYJJMZBO-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-3-16-13(19)12(14(18)20-16)9-15(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)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide?
N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide is sourced from PubChem (CID 6230404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).