(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide

C19H23NO3S — CID 42115635

IUPAC(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15(23-18-10-8-17(22-2)9-11-18)19(21)20-12-13-24-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyLRSDZRCOPLCTCE-HNNXBMFYSA-N
MW345.46 g/mol
LogP3.51
Rot. Bonds9

About (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide

(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 42115635) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID42115635
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15(23-18-10-8-17(22-2)9-11-18)19(21)20-12-13-24-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyLRSDZRCOPLCTCE-HNNXBMFYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-benzylsulfanylethyl)-2-(4-chlorophenoxy)propanamide
CID 27861137
(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide
CID 26075071
(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9470322
2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 43915835
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide
CID 132651623
2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 21367134
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
CID 28579105
(2S)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 9173320
(2R)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxyphenoxy)propanamide
CID 92684620
N-(2-benzylsulfanylethyl)-4-(4-methoxyphenoxy)butanamide
CID 21368216

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide (CID 42115635) is (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide is COc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2)cc1.
What is the InChIKey of (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is LRSDZRCOPLCTCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15(23-18-10-8-17(22-2)9-11-18)19(21)20-12-13-24-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide?
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 345.46 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 42115635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).