N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide

C17H21FN2OS — CID 46685783

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
SMILESCN(C)C(CNC(=O)CCc1ccccc1F)c1cccs1
InChIInChI=1S/C17H21FN2OS/c1-20(2)15(16-8-5-11-22-16)12-19-17(21)10-9-13-6-3-4-7-14(13)18/h3-8,11,15H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyXTNHWQPGJDVSRQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 46685783) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
PubChem CID46685783
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
SMILESCN(C)C(CNC(=O)CCc1ccccc1F)c1cccs1
InChIInChI=1S/C17H21FN2OS/c1-20(2)15(16-8-5-11-22-16)12-19-17(21)10-9-13-6-3-4-7-14(13)18/h3-8,11,15H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyXTNHWQPGJDVSRQ-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 110622453
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 51181102
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide (CID 46685783) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide is CN(C)C(CNC(=O)CCc1ccccc1F)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is XTNHWQPGJDVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-20(2)15(16-8-5-11-22-16)12-19-17(21)10-9-13-6-3-4-7-14(13)18/h3-8,11,15H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 3.24, 7 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]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 46685783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).