2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide

C18H25IN4OS — CID 109485064

IUPAC2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
SMILESC#Cc1cccc(NC(=O)CN/C(=N\C)N2CCSC(CC)C2)c1.I
InChIInChI=1S/C18H24N4OS.HI/c1-4-14-7-6-8-15(11-14)21-17(23)12-20-18(19-3)22-9-10-24-16(5-2)13-22;/h1,6-8,11,16H,5,9-10,12-13H2,2-3H3,(H,19,20)(H,21,23);1H
InChIKeyGMFHAMGGSDMVND-UHFFFAOYSA-N
MW472.40 g/mol
LogP2.63
Rot. Bonds4

About 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide

2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide (PubChem CID 109485064) has the molecular formula C18H25IN4OS and a molecular weight of 472.40 g/mol. Its IUPAC name is 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
PubChem CID109485064
Molecular FormulaC18H25IN4OS
Molecular Weight472.40 g/mol
Exact Mass472.08
IUPAC Name2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
SMILESC#Cc1cccc(NC(=O)CN/C(=N\C)N2CCSC(CC)C2)c1.I
InChIInChI=1S/C18H24N4OS.HI/c1-4-14-7-6-8-15(11-14)21-17(23)12-20-18(19-3)22-9-10-24-16(5-2)13-22;/h1,6-8,11,16H,5,9-10,12-13H2,2-3H3,(H,19,20)(H,21,23);1H
InChIKeyGMFHAMGGSDMVND-UHFFFAOYSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide 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

2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 109484811
N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 110961214
N-(3-ethynylphenyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide
CID 111263143
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide
CID 109485155
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 109487245
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-(3-ethynylphenyl)acetamide
CID 110990859
2-ethyl-N'-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485068
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 109487246
2-ethyl-N'-methyl-N-(quinolin-8-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109484767
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109485455
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
2-(dimethylamino)-N-[3-[[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide
CID 109486158

Frequently Asked Questions

What is the IUPAC name of 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide (CID 109485064) is 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide is C#Cc1cccc(NC(=O)CN/C(=N\C)N2CCSC(CC)C2)c1.I.
What is the InChIKey of 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide?
The InChIKey is GMFHAMGGSDMVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.HI/c1-4-14-7-6-8-15(11-14)21-17(23)12-20-18(19-3)22-9-10-24-16(5-2)13-22;/h1,6-8,11,16H,5,9-10,12-13H2,2-3H3,(H,19,20)(H,21,23);1H.
What are the key properties of 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide?
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide has a molecular weight of 472.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide is sourced from PubChem (CID 109485064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).