N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide

C15H21NO4S — CID 51174549

IUPACN-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C15H21NO4S/c1-11(15(17)16-12-5-3-4-6-12)20-13-7-9-14(10-8-13)21(2,18)19/h7-12H,3-6H2,1-2H3,(H,16,17)
InChIKeyLCROGRBIIWEXJO-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.92
Rot. Bonds5

About N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide

N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide (PubChem CID 51174549) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
PubChem CID51174549
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C15H21NO4S/c1-11(15(17)16-12-5-3-4-6-12)20-13-7-9-14(10-8-13)21(2,18)19/h7-12H,3-6H2,1-2H3,(H,16,17)
InChIKeyLCROGRBIIWEXJO-UHFFFAOYSA-N
XLogP1.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480667
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668
(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100677106
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
CID 17427987

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide?
The IUPAC name of N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide (CID 51174549) is N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide?
The canonical SMILES for N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide is CC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide?
The InChIKey is LCROGRBIIWEXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11(15(17)16-12-5-3-4-6-12)20-13-7-9-14(10-8-13)21(2,18)19/h7-12H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide?
N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide has a molecular weight of 311.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide is sourced from PubChem (CID 51174549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).