(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide

C17H17FN2O2S — CID 8740706

IUPAC(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H17FN2O2S/c1-12(23-15-9-7-14(18)8-10-15)16(21)20-17(22)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,19,20,21,22)/t12-/m1/s1
InChIKeyLAJBIPKKOYGCKK-GFCCVEGCSA-N
MW332.40 g/mol
LogP3.33
Rot. Bonds5

About (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide

(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 8740706) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID8740706
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H17FN2O2S/c1-12(23-15-9-7-14(18)8-10-15)16(21)20-17(22)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,19,20,21,22)/t12-/m1/s1
InChIKeyLAJBIPKKOYGCKK-GFCCVEGCSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
N-(benzylcarbamoyl)-2-methylsulfanylpropanamide
CID 47263081
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 46789422
(2R)-N-(benzylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 8985972
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725
(2S)-N-(benzylcarbamoyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8954251
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665651

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide (CID 8740706) is (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide is C[C@@H](Sc1ccc(F)cc1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is LAJBIPKKOYGCKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-12(23-15-9-7-14(18)8-10-15)16(21)20-17(22)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,19,20,21,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide?
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 332.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 8740706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).