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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Related Compounds

N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 119754149
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide
CID 119684397
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylacetamide
CID 119802464
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119737229
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287183
2-(2-methoxyethylamino)-N-propan-2-yl-N-propylacetamide
CID 79280705
1-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703642
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide
CID 56553632
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119679054
6-[[[5-(3-fluorophenyl)thiophen-2-yl]methyl-propan-2-ylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 146152373

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).