2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide

C14H17ClFNO2S — CID 56811725

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide
SMILESO=C(CS(=O)Cc1ccc(F)cc1Cl)NC1CCCC1
InChIInChI=1S/C14H17ClFNO2S/c15-13-7-11(16)6-5-10(13)8-20(19)9-14(18)17-12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H,17,18)
InChIKeyOSVAJMIAMRJPLE-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.79
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide

2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide (PubChem CID 56811725) has the molecular formula C14H17ClFNO2S and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide
PubChem CID56811725
Molecular FormulaC14H17ClFNO2S
Molecular Weight317.81 g/mol
Exact Mass317.07
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide
SMILESO=C(CS(=O)Cc1ccc(F)cc1Cl)NC1CCCC1
InChIInChI=1S/C14H17ClFNO2S/c15-13-7-11(16)6-5-10(13)8-20(19)9-14(18)17-12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H,17,18)
InChIKeyOSVAJMIAMRJPLE-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2210190
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
N-cyclopentyl-2-[(4-fluorobenzyl)thio]acetamide
CID 3244937
3-[(2-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 4615987
3-[(4-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 5215887
3-[(2-chlorobenzyl)thio]-N-cyclohexylpropanamide
CID 3379555
N-(2-chlorobenzyl)-3-[(2-fluorobenzyl)sulfonyl]propanamide
CID 4148310
(2E)-N-(1,1-dioxothiolan-3-yl)-3-(2-chlorophenyl)prop-2-enamide
CID 5334713
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-isopropylacetamide
CID 838666
3-[(3-chlorophenyl)methylthio]-N-cyclopentylpropanamide
CID 4219375

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide (CID 56811725) is 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide is O=C(CS(=O)Cc1ccc(F)cc1Cl)NC1CCCC1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide?
The InChIKey is OSVAJMIAMRJPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2S/c15-13-7-11(16)6-5-10(13)8-20(19)9-14(18)17-12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H,17,18).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide?
2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide has a molecular weight of 317.81 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide is sourced from PubChem (CID 56811725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).