(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide

C15H20FNOS — CID 95579029

IUPAC(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESC[C@H](SCc1ccccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H20FNOS/c1-11(15(18)17-13-7-3-4-8-13)19-10-12-6-2-5-9-14(12)16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyTTYWGZKVPHRFCJ-NSHDSACASA-N
MW281.40 g/mol
LogP3.51
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide

(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 95579029) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
PubChem CID95579029
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESC[C@H](SCc1ccccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H20FNOS/c1-11(15(18)17-13-7-3-4-8-13)19-10-12-6-2-5-9-14(12)16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyTTYWGZKVPHRFCJ-NSHDSACASA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579031
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
2-[(2-fluorophenyl)methylsulfanyl]propanoic acid
CID 24706071
N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide
CID 134021364
(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579038
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384132
2-[(4-chlorophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]-N-cyclopentylpropanamide
CID 132614429
(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100554204
N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
CID 60542044

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide (CID 95579029) is (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide is C[C@H](SCc1ccccc1F)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is TTYWGZKVPHRFCJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FNOS/c1-11(15(18)17-13-7-3-4-8-13)19-10-12-6-2-5-9-14(12)16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide?
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide has a molecular weight of 281.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 95579029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).