(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide

C12H15FN2O2S — CID 94217660

IUPAC(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide
SMILESC[C@@H](S[C@H](C)c1ccc(F)cc1)C(=O)NC(N)=O
InChIInChI=1S/C12H15FN2O2S/c1-7(9-3-5-10(13)6-4-9)18-8(2)11(16)15-12(14)17/h3-8H,1-2H3,(H3,14,15,16,17)/t7-,8-/m1/s1
InChIKeyBFJGNBJTIMDQKN-HTQZYQBOSA-N
MW270.33 g/mol
LogP2.20
Rot. Bonds4

About (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide

(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide (PubChem CID 94217660) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide
PubChem CID94217660
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide
SMILESC[C@@H](S[C@H](C)c1ccc(F)cc1)C(=O)NC(N)=O
InChIInChI=1S/C12H15FN2O2S/c1-7(9-3-5-10(13)6-4-9)18-8(2)11(16)15-12(14)17/h3-8H,1-2H3,(H3,14,15,16,17)/t7-,8-/m1/s1
InChIKeyBFJGNBJTIMDQKN-HTQZYQBOSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide
CID 94217682
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide
CID 75402794
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134021342
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
CID 7752627
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
CID 47115223
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 16540114
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
(2R)-2-[(1S)-1-(2,6-difluorophenyl)ethyl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 94200044
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-fluorobenzoate
CID 7478298
(2S)-N-carbamoyl-2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7528771

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide (CID 94217660) is (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide is C[C@@H](S[C@H](C)c1ccc(F)cc1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide?
The InChIKey is BFJGNBJTIMDQKN-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-7(9-3-5-10(13)6-4-9)18-8(2)11(16)15-12(14)17/h3-8H,1-2H3,(H3,14,15,16,17)/t7-,8-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide?
(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide is sourced from PubChem (CID 94217660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).