(2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide

C15H19F2NOS — CID 9046430

IUPAC(2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19F2NOS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-8-7-11(16)9-13(14)17/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyXIKCQSGVSPVSAA-JTQLQIEISA-N
MW299.39 g/mol
LogP3.89
Rot. Bonds4

About (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide

(2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide (PubChem CID 9046430) has the molecular formula C15H19F2NOS and a molecular weight of 299.39 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide
PubChem CID9046430
Molecular FormulaC15H19F2NOS
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name(2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19F2NOS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-8-7-11(16)9-13(14)17/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyXIKCQSGVSPVSAA-JTQLQIEISA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide (CID 9046430) is (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide is C[C@H](Sc1ccc(F)cc1F)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is XIKCQSGVSPVSAA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F2NOS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-8-7-11(16)9-13(14)17/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide?
(2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 299.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(2,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 9046430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).