(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide

C16H20F2N2O2S — CID 8870587

IUPAC(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1cc(F)ccc1F)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H20F2N2O2S/c1-10(23-14-9-11(17)7-8-13(14)18)15(21)20-16(22)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,19,20,21,22)/t10-/m0/s1
InChIKeyFCOLSCAMPRIETF-JTQLQIEISA-N
MW342.41 g/mol
LogP3.60
Rot. Bonds4

About (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide

(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide (PubChem CID 8870587) has the molecular formula C16H20F2N2O2S and a molecular weight of 342.41 g/mol. Its IUPAC name is (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
PubChem CID8870587
Molecular FormulaC16H20F2N2O2S
Molecular Weight342.41 g/mol
Exact Mass342.12
IUPAC Name(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1cc(F)ccc1F)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H20F2N2O2S/c1-10(23-14-9-11(17)7-8-13(14)18)15(21)20-16(22)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,19,20,21,22)/t10-/m0/s1
InChIKeyFCOLSCAMPRIETF-JTQLQIEISA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975280
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
2-(2,5-difluorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24500088
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736919
(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
CID 94157804
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)propanamide
CID 112779935
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
(2R)-N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7557489
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8948837

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide (CID 8870587) is (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide is C[C@H](Sc1cc(F)ccc1F)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide?
The InChIKey is FCOLSCAMPRIETF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20F2N2O2S/c1-10(23-14-9-11(17)7-8-13(14)18)15(21)20-16(22)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,19,20,21,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide?
(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide has a molecular weight of 342.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 8870587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).