(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide

C13H16FNOS — CID 95579053

IUPAC(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
SMILESC[C@H](SCc1ccc(F)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16FNOS/c1-9(13(16)15-12-6-7-12)17-8-10-2-4-11(14)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyTVYDCKHHVBMGKF-VIFPVBQESA-N
MW253.34 g/mol
LogP2.73
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide

(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 95579053) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
PubChem CID95579053
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC Name(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
SMILESC[C@H](SCc1ccc(F)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16FNOS/c1-9(13(16)15-12-6-7-12)17-8-10-2-4-11(14)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyTVYDCKHHVBMGKF-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

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41089096
(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579031
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579038
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide
CID 726142
N-(4-aminocyclohexyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119478124
N-(1,1-dioxothiolan-3-yl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propanamide
CID 17412729
N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide
CID 134021364
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 18153408
(2R)-N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41259137

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide (CID 95579053) is (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide is C[C@H](SCc1ccc(F)cc1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is TVYDCKHHVBMGKF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16FNOS/c1-9(13(16)15-12-6-7-12)17-8-10-2-4-11(14)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide?
(2S)-N-cyclopropyl-2-[(4-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-[(4-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 95579053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).