(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide

C16H22FNO3S — CID 51946941

IUPAC(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H22FNO3S/c1-12(16(19)18-15-8-3-2-4-9-15)22(20,21)11-13-6-5-7-14(17)10-13/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyFBKZRDXPQMDXKP-LBPRGKRZSA-N
MW327.42 g/mol
LogP2.58
Rot. Bonds5

About (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide

(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 51946941) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
PubChem CID51946941
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H22FNO3S/c1-12(16(19)18-15-8-3-2-4-9-15)22(20,21)11-13-6-5-7-14(17)10-13/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyFBKZRDXPQMDXKP-LBPRGKRZSA-N
XLogP2.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide
CID 51727076
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 51946867
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide
CID 126828936
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
2-but-2-enylsulfonyl-N-cyclohexylpropanamide
CID 72686246

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide (CID 51946941) is (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide is C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is FBKZRDXPQMDXKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22FNO3S/c1-12(16(19)18-15-8-3-2-4-9-15)22(20,21)11-13-6-5-7-14(17)10-13/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide?
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 327.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 51946941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).