N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride

C19H26ClFN2O2S — CID 119754146

IUPACN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride
SMILESCOCCNCC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C.Cl
InChIInChI=1S/C19H25FN2O2S.ClH/c1-14(2)22(19(23)12-21-9-10-24-3)13-17-7-8-18(25-17)15-5-4-6-16(20)11-15;/h4-8,11,14,21H,9-10,12-13H2,1-3H3;1H
InChIKeyHJEGIIKDGWPLFP-UHFFFAOYSA-N
MW400.95 g/mol
LogP3.95
Rot. Bonds9

About N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride

N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride (PubChem CID 119754146) has the molecular formula C19H26ClFN2O2S and a molecular weight of 400.95 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride
PubChem CID119754146
Molecular FormulaC19H26ClFN2O2S
Molecular Weight400.95 g/mol
Exact Mass400.14
IUPAC NameN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride
SMILESCOCCNCC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C.Cl
InChIInChI=1S/C19H25FN2O2S.ClH/c1-14(2)22(19(23)12-21-9-10-24-3)13-17-7-8-18(25-17)15-5-4-6-16(20)11-15;/h4-8,11,14,21H,9-10,12-13H2,1-3H3;1H
InChIKeyHJEGIIKDGWPLFP-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride?
The IUPAC name of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride (CID 119754146) is N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride is COCCNCC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C.Cl.
What is the InChIKey of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride?
The InChIKey is HJEGIIKDGWPLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S.ClH/c1-14(2)22(19(23)12-21-9-10-24-3)13-17-7-8-18(25-17)15-5-4-6-16(20)11-15;/h4-8,11,14,21H,9-10,12-13H2,1-3H3;1H.
What are the key properties of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride?
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119754146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).