N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide

C17H20FNOS2 — CID 112793501

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C17H20FNOS2/c18-14-7-9-16(10-8-14)22-13-3-11-19-17(20)6-1-4-15-5-2-12-21-15/h2,5,7-10,12H,1,3-4,6,11,13H2,(H,19,20)
InChIKeyGTGHOMCZUWKKBJ-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.51
Rot. Bonds9

About N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide (PubChem CID 112793501) has the molecular formula C17H20FNOS2 and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
PubChem CID112793501
Molecular FormulaC17H20FNOS2
Molecular Weight337.49 g/mol
Exact Mass337.10
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C17H20FNOS2/c18-14-7-9-16(10-8-14)22-13-3-11-19-17(20)6-1-4-15-5-2-12-21-15/h2,5,7-10,12H,1,3-4,6,11,13H2,(H,19,20)
InChIKeyGTGHOMCZUWKKBJ-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27895338
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide (CID 112793501) is N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCCCSc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide?
The InChIKey is GTGHOMCZUWKKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS2/c18-14-7-9-16(10-8-14)22-13-3-11-19-17(20)6-1-4-15-5-2-12-21-15/h2,5,7-10,12H,1,3-4,6,11,13H2,(H,19,20).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide has a molecular weight of 337.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 112793501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).