N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide

C19H23NO2S — CID 133166181

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
SMILESCc1cc(C)cc(OCCNC(=O)C(C)Sc2ccccc2)c1
InChIInChI=1S/C19H23NO2S/c1-14-11-15(2)13-17(12-14)22-10-9-20-19(21)16(3)23-18-7-5-4-6-8-18/h4-8,11-13,16H,9-10H2,1-3H3,(H,20,21)
InChIKeyLMKGEVQSEKXLJY-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.98
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide (PubChem CID 133166181) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
PubChem CID133166181
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
SMILESCc1cc(C)cc(OCCNC(=O)C(C)Sc2ccccc2)c1
InChIInChI=1S/C19H23NO2S/c1-14-11-15(2)13-17(12-14)22-10-9-20-19(21)16(3)23-18-7-5-4-6-8-18/h4-8,11-13,16H,9-10H2,1-3H3,(H,20,21)
InChIKeyLMKGEVQSEKXLJY-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.98
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)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 52743823
(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-chlorophenyl)sulfanyl-N-[2-(3,5-dimethylphenoxy)ethyl]butanamide
CID 133240278
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide (CID 133166181) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide is Cc1cc(C)cc(OCCNC(=O)C(C)Sc2ccccc2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide?
The InChIKey is LMKGEVQSEKXLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-11-15(2)13-17(12-14)22-10-9-20-19(21)16(3)23-18-7-5-4-6-8-18/h4-8,11-13,16H,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 133166181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).