(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide

C17H25NO4S — CID 97435359

IUPAC(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)Nc1cccc(COC2CCCCC2)c1)S(C)(=O)=O
InChIInChI=1S/C17H25NO4S/c1-13(23(2,20)21)17(19)18-15-8-6-7-14(11-15)12-22-16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyFLEMCTFBLPRXQS-CYBMUJFWSA-N
MW339.46 g/mol
LogP2.91
Rot. Bonds6

About (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide

(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide (PubChem CID 97435359) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
PubChem CID97435359
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)Nc1cccc(COC2CCCCC2)c1)S(C)(=O)=O
InChIInChI=1S/C17H25NO4S/c1-13(23(2,20)21)17(19)18-15-8-6-7-14(11-15)12-22-16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyFLEMCTFBLPRXQS-CYBMUJFWSA-N
XLogP2.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957019
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
(2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide
CID 129377377
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide
CID 56787557
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754772
(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide
CID 95145385
methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
CID 60599927
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119753882

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide (CID 97435359) is (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide is C[C@H](C(=O)Nc1cccc(COC2CCCCC2)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide?
The InChIKey is FLEMCTFBLPRXQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-13(23(2,20)21)17(19)18-15-8-6-7-14(11-15)12-22-16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide?
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 97435359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).