(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

C17H22F3NO4S — CID 1479217

IUPAC(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO4S/c1-16(23,11-26(24,25)14-5-3-2-4-6-14)15(22)21-13-9-7-12(8-10-13)17(18,19)20/h7-10,14,23H,2-6,11H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeySQUYFVCQMAWTJM-MRXNPFEDSA-N
MW393.43 g/mol
LogP3.14
Rot. Bonds5

About (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 1479217) has the molecular formula C17H22F3NO4S and a molecular weight of 393.43 g/mol. Its IUPAC name is (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID1479217
Molecular FormulaC17H22F3NO4S
Molecular Weight393.43 g/mol
Exact Mass393.12
IUPAC Name(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO4S/c1-16(23,11-26(24,25)14-5-3-2-4-6-14)15(22)21-13-9-7-12(8-10-13)17(18,19)20/h7-10,14,23H,2-6,11H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeySQUYFVCQMAWTJM-MRXNPFEDSA-N
XLogP3.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide
CID 1476391
3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4638465
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride
CID 155285979
3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 71809353
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
3-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 127043695
3-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109013721
2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155555133
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-cyclopentylacetate
CID 7722404
2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 155556009
2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 62833542

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 1479217) is (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is C[C@@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SQUYFVCQMAWTJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22F3NO4S/c1-16(23,11-26(24,25)14-5-3-2-4-6-14)15(22)21-13-9-7-12(8-10-13)17(18,19)20/h7-10,14,23H,2-6,11H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 393.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 1479217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).