N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C18H23FN2O2S — CID 4580991

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCOCCNCC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C
InChIInChI=1S/C18H23FN2O2S/c1-14-7-10-24-17(14)13-21(18(22)11-20-8-9-23-2)12-15-3-5-16(19)6-4-15/h3-7,10,20H,8-9,11-13H2,1-2H3
InChIKeyMEEWKZULICOXQO-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.96
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide

N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 4580991) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID4580991
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCOCCNCC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C
InChIInChI=1S/C18H23FN2O2S/c1-14-7-10-24-17(14)13-21(18(22)11-20-8-9-23-2)12-15-3-5-16(19)6-4-15/h3-7,10,20H,8-9,11-13H2,1-2H3
InChIKeyMEEWKZULICOXQO-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.96
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-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 4580991) is N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide is COCCNCC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is MEEWKZULICOXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c1-14-7-10-24-17(14)13-21(18(22)11-20-8-9-23-2)12-15-3-5-16(19)6-4-15/h3-7,10,20H,8-9,11-13H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 4580991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).