N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide

C15H17FN2OS — CID 18161749

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C15H17FN2OS/c1-18(2)13(14-8-5-9-20-14)10-17-15(19)11-6-3-4-7-12(11)16/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyFOWHKBLACALGNJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide (PubChem CID 18161749) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
PubChem CID18161749
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C15H17FN2OS/c1-18(2)13(14-8-5-9-20-14)10-17-15(19)11-6-3-4-7-12(11)16/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyFOWHKBLACALGNJ-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
CID 78772713
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylfuran-3-carboxamide
CID 35058132
3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
CID 55713696
2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 9118288
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43006754
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide (CID 18161749) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide is CN(C)C(CNC(=O)c1ccccc1F)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide?
The InChIKey is FOWHKBLACALGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-18(2)13(14-8-5-9-20-14)10-17-15(19)11-6-3-4-7-12(11)16/h3-9,13H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide is sourced from PubChem (CID 18161749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).