(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide

C13H19NO2S — CID 39082812

IUPAC(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOCCNC(=O)[C@@H](C)Sc1ccc(C)cc1
InChIInChI=1S/C13H19NO2S/c1-10-4-6-12(7-5-10)17-11(2)13(15)14-8-9-16-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyQXLCDGKPNCQRCT-LLVKDONJSA-N
MW253.37 g/mol
LogP2.24
Rot. Bonds6

About (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 39082812) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID39082812
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOCCNC(=O)[C@@H](C)Sc1ccc(C)cc1
InChIInChI=1S/C13H19NO2S/c1-10-4-6-12(7-5-10)17-11(2)13(15)14-8-9-16-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyQXLCDGKPNCQRCT-LLVKDONJSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.24
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

(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 43299407
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957294
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
CID 43299392
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133244583
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 39082812) is (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide is COCCNC(=O)[C@@H](C)Sc1ccc(C)cc1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is QXLCDGKPNCQRCT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-4-6-12(7-5-10)17-11(2)13(15)14-8-9-16-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 39082812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).