N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide

C14H18FNOS — CID 3244937

IUPACN-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C14H18FNOS/c15-12-7-5-11(6-8-12)9-18-10-14(17)16-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,16,17)
InChIKeyACGHAZSQRZIMSD-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.12
Rot. Bonds5

About N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide

N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 3244937) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID3244937
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC NameN-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C14H18FNOS/c15-12-7-5-11(6-8-12)9-18-10-14(17)16-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,16,17)
InChIKeyACGHAZSQRZIMSD-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.12
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)methylsulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 3244937) is N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is ACGHAZSQRZIMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c15-12-7-5-11(6-8-12)9-18-10-14(17)16-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,16,17).
What are the key properties of N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-cyclopentyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 267.37 g/mol, XLogP of 3.12, 5 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)methylsulfanyl]acetamide is sourced from PubChem (CID 3244937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).