(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide

C20H31NO2S — CID 28576651

IUPAC(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)NCCSC1CCCCC1
InChIInChI=1S/C20H31NO2S/c1-15(2)18-11-7-8-12-19(18)23-16(3)20(22)21-13-14-24-17-9-5-4-6-10-17/h7-8,11-12,15-17H,4-6,9-10,13-14H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeySXMUFGYKIWZRMH-MRXNPFEDSA-N
MW349.54 g/mol
LogP4.76
Rot. Bonds8

About (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide

(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 28576651) has the molecular formula C20H31NO2S and a molecular weight of 349.54 g/mol. Its IUPAC name is (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID28576651
Molecular FormulaC20H31NO2S
Molecular Weight349.54 g/mol
Exact Mass349.21
IUPAC Name(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)NCCSC1CCCCC1
InChIInChI=1S/C20H31NO2S/c1-15(2)18-11-7-8-12-19(18)23-16(3)20(22)21-13-14-24-17-9-5-4-6-10-17/h7-8,11-12,15-17H,4-6,9-10,13-14H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeySXMUFGYKIWZRMH-MRXNPFEDSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 132760870
N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 133200034
N-(2-cyclopentylsulfanylethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235185
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 100744032
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
N-[2-(ethylsulfonylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572582
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552919
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide (CID 28576651) is (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide is CC(C)c1ccccc1O[C@H](C)C(=O)NCCSC1CCCCC1.
What is the InChIKey of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is SXMUFGYKIWZRMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31NO2S/c1-15(2)18-11-7-8-12-19(18)23-16(3)20(22)21-13-14-24-17-9-5-4-6-10-17/h7-8,11-12,15-17H,4-6,9-10,13-14H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide?
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 349.54 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 28576651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).