(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide

C15H19ClFNO2S — CID 95599483

IUPAC(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO2S/c1-10(15(19)18-11-5-2-3-6-11)21(20)9-12-13(16)7-4-8-14(12)17/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,18,19)/t10-,21-/m0/s1
InChIKeyBZSNTSZIOQDDTO-CWKPULSASA-N
MW331.84 g/mol
LogP3.18
Rot. Bonds5

About (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide

(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide (PubChem CID 95599483) has the molecular formula C15H19ClFNO2S and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
PubChem CID95599483
Molecular FormulaC15H19ClFNO2S
Molecular Weight331.84 g/mol
Exact Mass331.08
IUPAC Name(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO2S/c1-10(15(19)18-11-5-2-3-6-11)21(20)9-12-13(16)7-4-8-14(12)17/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,18,19)/t10-,21-/m0/s1
InChIKeyBZSNTSZIOQDDTO-CWKPULSASA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide (CID 95599483) is (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide is C[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The InChIKey is BZSNTSZIOQDDTO-CWKPULSASA-N. The full InChI is InChI=1S/C15H19ClFNO2S/c1-10(15(19)18-11-5-2-3-6-11)21(20)9-12-13(16)7-4-8-14(12)17/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,18,19)/t10-,21-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide has a molecular weight of 331.84 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 95599483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).