N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide

C19H23NO3S — CID 78891809

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
SMILESCCOCCOCc1cccc(NC(=O)c2ccc(SC)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-3-22-11-12-23-14-15-5-4-6-17(13-15)20-19(21)16-7-9-18(24-2)10-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,21)
InChIKeyZYFFHOIYCYKTKE-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.21
Rot. Bonds9

About N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide

N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide (PubChem CID 78891809) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
PubChem CID78891809
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
SMILESCCOCCOCc1cccc(NC(=O)c2ccc(SC)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-3-22-11-12-23-14-15-5-4-6-17(13-15)20-19(21)16-7-9-18(24-2)10-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,21)
InChIKeyZYFFHOIYCYKTKE-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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

N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 55932677
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
CID 55807023
1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 55806959
N-[3-(2-ethoxyethoxymethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55806770
5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55806733
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48578355

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide (CID 78891809) is N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide is CCOCCOCc1cccc(NC(=O)c2ccc(SC)cc2)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide?
The InChIKey is ZYFFHOIYCYKTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-22-11-12-23-14-15-5-4-6-17(13-15)20-19(21)16-7-9-18(24-2)10-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide?
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 78891809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).