3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide

C22H23NO2S — CID 92679628

IUPAC3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCSCc1ccccc1C
InChIInChI=1S/C22H23NO2S/c1-16-7-3-4-10-19(16)15-26-12-11-23-22(24)20-13-17-8-5-6-9-18(17)14-21(20)25-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,24)
InChIKeyRWEYBRPPAAKNPD-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.82
Rot. Bonds7

About 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide

3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide (PubChem CID 92679628) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide
PubChem CID92679628
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCSCc1ccccc1C
InChIInChI=1S/C22H23NO2S/c1-16-7-3-4-10-19(16)15-26-12-11-23-22(24)20-13-17-8-5-6-9-18(17)14-21(20)25-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,24)
InChIKeyRWEYBRPPAAKNPD-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

3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
2,3-dimethoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 100530508
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 51196870
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 8757159
N-(2-benzylsulfanylethyl)-2-methoxy-5-methylbenzamide
CID 9470342
N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 801526
(2S)-2-(3,4-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 94012140
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2279724
(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 7766882
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
CID 24535452
2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 21367716

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide (CID 92679628) is 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCCSCc1ccccc1C.
What is the InChIKey of 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide?
The InChIKey is RWEYBRPPAAKNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-16-7-3-4-10-19(16)15-26-12-11-23-22(24)20-13-17-8-5-6-9-18(17)14-21(20)25-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,24).
What are the key properties of 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide?
3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide 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 3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 92679628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).