2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide

C22H23NO2S — CID 133231200

IUPAC2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
SMILESCc1ccc(SC(C)C(=O)NCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO2S/c1-16-7-11-21(12-8-16)26-17(2)22(24)23-13-14-25-20-10-9-18-5-3-4-6-19(18)15-20/h3-12,15,17H,13-14H2,1-2H3,(H,23,24)
InChIKeyHAZRZVHJSRLHPE-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.82
Rot. Bonds7

About 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide

2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide (PubChem CID 133231200) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
PubChem CID133231200
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
SMILESCc1ccc(SC(C)C(=O)NCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO2S/c1-16-7-11-21(12-8-16)26-17(2)22(24)23-13-14-25-20-10-9-18-5-3-4-6-19(18)15-20/h3-12,15,17H,13-14H2,1-2H3,(H,23,24)
InChIKeyHAZRZVHJSRLHPE-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.82
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-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181
(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957294
2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133244583
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide (CID 133231200) is 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide is Cc1ccc(SC(C)C(=O)NCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide?
The InChIKey is HAZRZVHJSRLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-16-7-11-21(12-8-16)26-17(2)22(24)23-13-14-25-20-10-9-18-5-3-4-6-19(18)15-20/h3-12,15,17H,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide?
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide has a molecular weight of 365.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide is sourced from PubChem (CID 133231200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).