N-(2-benzylsulfanylethyl)-2-methoxybenzamide

C17H19NO2S — CID 5225725

IUPACN-(2-benzylsulfanylethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCSCc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-20-16-10-6-5-9-15(16)17(19)18-11-12-21-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyLRXXYOSCAPYGBB-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.36
Rot. Bonds7

About N-(2-benzylsulfanylethyl)-2-methoxybenzamide

N-(2-benzylsulfanylethyl)-2-methoxybenzamide (PubChem CID 5225725) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-methoxybenzamide
PubChem CID5225725
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2-benzylsulfanylethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCSCc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-20-16-10-6-5-9-15(16)17(19)18-11-12-21-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyLRXXYOSCAPYGBB-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.36
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

N-(2-benzylsulfanylethyl)-2-methoxy-5-methylbenzamide
CID 9470342
N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide
CID 18287141
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 100765199
N-(2-benzylsulfanylethyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 9490337
2-benzylsulfanyl-1-(2-methoxyphenyl)ethanone
CID 43218473
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
2,3-dimethoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 100530508
N-(2-benzylsulfanylethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 8749675

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-methoxybenzamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-methoxybenzamide (CID 5225725) is N-(2-benzylsulfanylethyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-methoxybenzamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-methoxybenzamide is COc1ccccc1C(=O)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-methoxybenzamide?
The InChIKey is LRXXYOSCAPYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-16-10-6-5-9-15(16)17(19)18-11-12-21-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-(2-benzylsulfanylethyl)-2-methoxybenzamide?
N-(2-benzylsulfanylethyl)-2-methoxybenzamide has a molecular weight of 301.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-methoxybenzamide is sourced from PubChem (CID 5225725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).