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

C13H16FNOS — CID 95579031

IUPAC(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESC[C@H](SCc1ccccc1F)C(=O)NC1CC1
InChIInChI=1S/C13H16FNOS/c1-9(13(16)15-11-6-7-11)17-8-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyFNOVDTFXJCDWGC-VIFPVBQESA-N
MW253.34 g/mol
LogP2.73
Rot. Bonds5

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

(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 95579031) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
PubChem CID95579031
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC Name(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESC[C@H](SCc1ccccc1F)C(=O)NC1CC1
InChIInChI=1S/C13H16FNOS/c1-9(13(16)15-11-6-7-11)17-8-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyFNOVDTFXJCDWGC-VIFPVBQESA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579038
2-[(2-fluorophenyl)methylsulfanyl]propanoic acid
CID 24706071
N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide
CID 134021364
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 134017008
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 56811597

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide (CID 95579031) is (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide is C[C@H](SCc1ccccc1F)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is FNOVDTFXJCDWGC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16FNOS/c1-9(13(16)15-11-6-7-11)17-8-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide?
(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide has a molecular weight of 253.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 95579031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).