(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide

C16H16FNO2S — CID 95169351

IUPAC(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1ccccc1
InChIInChI=1S/C16H16FNO2S/c1-12(21(20)11-13-7-3-2-4-8-13)16(19)18-15-10-6-5-9-14(15)17/h2-10,12H,11H2,1H3,(H,18,19)/t12-,21-/m1/s1
InChIKeyKDJPWKMHRWJVBG-XUSGNXJCSA-N
MW305.37 g/mol
LogP3.10
Rot. Bonds5

About (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide

(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide (PubChem CID 95169351) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
PubChem CID95169351
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1ccccc1
InChIInChI=1S/C16H16FNO2S/c1-12(21(20)11-13-7-3-2-4-8-13)16(19)18-15-10-6-5-9-14(15)17/h2-10,12H,11H2,1H3,(H,18,19)/t12-,21-/m1/s1
InChIKeyKDJPWKMHRWJVBG-XUSGNXJCSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95169183
(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169378
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808134
4-[[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]sulfinylmethyl]benzoic acid
CID 123106792
(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide
CID 95571898
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 95599547
(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
CID 95599409
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
1-(2-fluorophenyl)-3-[(2S)-4-phenylbutan-2-yl]thiourea
CID 8668898
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide (CID 95169351) is (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide is C[C@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide?
The InChIKey is KDJPWKMHRWJVBG-XUSGNXJCSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-12(21(20)11-13-7-3-2-4-8-13)16(19)18-15-10-6-5-9-14(15)17/h2-10,12H,11H2,1H3,(H,18,19)/t12-,21-/m1/s1.
What are the key properties of (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide?
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide has a molecular weight of 305.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 95169351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).