2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide

C14H15FN2OS — CID 54889525

IUPAC2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCC(NCc1cccs1)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C14H15FN2OS/c1-14(13(16)18,10-4-2-5-11(15)8-10)17-9-12-6-3-7-19-12/h2-8,17H,9H2,1H3,(H2,16,18)
InChIKeyQYHWSZTXIMLPBV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.38
Rot. Bonds5

About 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide

2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide (PubChem CID 54889525) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
PubChem CID54889525
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCC(NCc1cccs1)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C14H15FN2OS/c1-14(13(16)18,10-4-2-5-11(15)8-10)17-9-12-6-3-7-19-12/h2-8,17H,9H2,1H3,(H2,16,18)
InChIKeyQYHWSZTXIMLPBV-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991456
2-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991594
2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892842
methyl 2-(3-bromo-4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 62913533
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide
CID 66165551
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61054387
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The IUPAC name of 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide (CID 54889525) is 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide is CC(NCc1cccs1)(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The InChIKey is QYHWSZTXIMLPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-14(13(16)18,10-4-2-5-11(15)8-10)17-9-12-6-3-7-19-12/h2-8,17H,9H2,1H3,(H2,16,18).
What are the key properties of 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide has a molecular weight of 278.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 54889525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).