N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide

C20H25NO2S — CID 43916416

IUPACN-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCSc1ccccc1
InChIInChI=1S/C20H25NO2S/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/h4-12,15-16H,13-14H2,1-3H3,(H,21,22)
InChIKeyDBJCTYZOCCRUEM-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.49
Rot. Bonds8

About N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide

N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 43916416) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID43916416
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCSc1ccccc1
InChIInChI=1S/C20H25NO2S/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/h4-12,15-16H,13-14H2,1-3H3,(H,21,22)
InChIKeyDBJCTYZOCCRUEM-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.49
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

(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 43916117
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173170
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 28576651
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
N-[2-(ethylsulfonylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572582

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide (CID 43916416) is N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide is CC(Oc1ccccc1C(C)C)C(=O)NCCSc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is DBJCTYZOCCRUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/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/h4-12,15-16H,13-14H2,1-3H3,(H,21,22).
What are the key properties of N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide?
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 343.49 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43916416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).