4-ethoxy-N-(2-phenylsulfanylethyl)benzamide

C17H19NO2S — CID 27887685

IUPAC4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCCOc1ccc(C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-20-15-10-8-14(9-11-15)17(19)18-12-13-21-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyXSJCDCNPLUPWKZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.61
Rot. Bonds7

About 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide

4-ethoxy-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 27887685) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
PubChem CID27887685
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCCOc1ccc(C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-20-15-10-8-14(9-11-15)17(19)18-12-13-21-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyXSJCDCNPLUPWKZ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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

3,4,5-triethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27677815
4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 27887851
6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 50843863
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46770097
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
N-[3-(4-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909022
4-ethoxy-N-(5-hydroxy-3-phenylpentyl)benzamide
CID 121112163
2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
CID 2174445
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513
4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 34998826

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide (CID 27887685) is 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide is CCOc1ccc(C(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is XSJCDCNPLUPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-20-15-10-8-14(9-11-15)17(19)18-12-13-21-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,18,19).
What are the key properties of 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide?
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 301.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 27887685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).