N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide

C13H16FNOS — CID 4640800

IUPACN-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C13H16FNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyGMMSRZRJLIQUBX-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.98
Rot. Bonds4

About N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide

N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 4640800) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID4640800
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C13H16FNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyGMMSRZRJLIQUBX-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide (CID 4640800) is N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is GMMSRZRJLIQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide?
N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 253.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 4640800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).