(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide

C23H25NO2S — CID 9470322

IUPAC(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCCSCc3ccccc3)ccc2c1
InChIInChI=1S/C23H25NO2S/c1-17(19-8-9-21-15-22(26-2)11-10-20(21)14-19)23(25)24-12-13-27-16-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyMGZOCQDALGBOSJ-KRWDZBQOSA-N
MW379.53 g/mol
LogP5.00
Rot. Bonds8

About (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 9470322) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID9470322
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCCSCc3ccccc3)ccc2c1
InChIInChI=1S/C23H25NO2S/c1-17(19-8-9-21-15-22(26-2)11-10-20(21)14-19)23(25)24-12-13-27-16-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyMGZOCQDALGBOSJ-KRWDZBQOSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.00
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-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
CID 28579105
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952277
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278840
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 9470322) is (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)NCCSCc3ccccc3)ccc2c1.
What is the InChIKey of (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is MGZOCQDALGBOSJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-17(19-8-9-21-15-22(26-2)11-10-20(21)14-19)23(25)24-12-13-27-16-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 379.53 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 9470322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).