2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide

C16H19N3O2S2 — CID 6210922

IUPAC2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H19N3O2S2/c17-14(20)10-23-16-18-13(9-12-7-4-8-22-12)15(21)19(16)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,17,20)/b13-9+
InChIKeyNEBGYWMICWSIAE-UKTHLTGXSA-N
MW349.48 g/mol
LogP2.84
Rot. Bonds4

About 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide

2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide (PubChem CID 6210922) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide
PubChem CID6210922
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H19N3O2S2/c17-14(20)10-23-16-18-13(9-12-7-4-8-22-12)15(21)19(16)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,17,20)/b13-9+
InChIKeyNEBGYWMICWSIAE-UKTHLTGXSA-N
XLogP2.84
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide (CID 6210922) is 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide is NC(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1.
What is the InChIKey of 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide?
The InChIKey is NEBGYWMICWSIAE-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c17-14(20)10-23-16-18-13(9-12-7-4-8-22-12)15(21)19(16)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,17,20)/b13-9+.
What are the key properties of 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide?
2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide has a molecular weight of 349.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-1-cyclohexyl-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 6210922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).