3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide

C17H14FNOS — CID 154857590

IUPAC3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1cccc2ccccc12)c1sccc1F
InChIInChI=1S/C17H14FNOS/c18-15-9-11-21-16(15)17(20)19-10-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,9,11H,8,10H2,(H,19,20)
InChIKeyYRAPVTXAQFOZNU-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.01
Rot. Bonds4

About 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide

3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide (PubChem CID 154857590) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide
PubChem CID154857590
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1cccc2ccccc12)c1sccc1F
InChIInChI=1S/C17H14FNOS/c18-15-9-11-21-16(15)17(20)19-10-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,9,11H,8,10H2,(H,19,20)
InChIKeyYRAPVTXAQFOZNU-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide
CID 19805473
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
(E)-4-(2-naphthalen-1-ylethylamino)-4-oxobut-2-enoic acid
CID 115177297
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide (CID 154857590) is 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide is O=C(NCCc1cccc2ccccc12)c1sccc1F.
What is the InChIKey of 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is YRAPVTXAQFOZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c18-15-9-11-21-16(15)17(20)19-10-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,9,11H,8,10H2,(H,19,20).
What are the key properties of 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide?
3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 154857590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).