N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C18H20N2O2S — CID 145284544

IUPACN-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESC=C/C(=N\C)N(Cc1cccs1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C18H20N2O2S/c1-4-17(19-3)20(12-16-9-6-10-23-16)18(21)13-22-15-8-5-7-14(2)11-15/h4-11H,1,12-13H2,2-3H3/b19-17+
InChIKeyBJEPIOMHNRBVNY-HTXNQAPBSA-N
MW328.44 g/mol
LogP3.68
Rot. Bonds6

About N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 145284544) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID145284544
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESC=C/C(=N\C)N(Cc1cccs1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C18H20N2O2S/c1-4-17(19-3)20(12-16-9-6-10-23-16)18(21)13-22-15-8-5-7-14(2)11-15/h4-11H,1,12-13H2,2-3H3/b19-17+
InChIKeyBJEPIOMHNRBVNY-HTXNQAPBSA-N
XLogP3.68
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90496022
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(3-aminophenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 61035595
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
(3-methylphenyl) 2-thiophen-2-ylacetate
CID 532771
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568

Frequently Asked Questions

What is the IUPAC name of N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 145284544) is N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is C=C/C(=N\C)N(Cc1cccs1)C(=O)COc1cccc(C)c1.
What is the InChIKey of N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BJEPIOMHNRBVNY-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-4-17(19-3)20(12-16-9-6-10-23-16)18(21)13-22-15-8-5-7-14(2)11-15/h4-11H,1,12-13H2,2-3H3/b19-17+.
What are the key properties of N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 145284544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).