N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide

C19H23NO3S — CID 614251

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCOc1ccc(C)c(C)c1
InChIInChI=1S/C19H23NO3S/c1-13-5-6-15(11-14(13)2)23-10-9-20-19(21)17-8-7-16(24-4)12-18(17)22-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeyUEQOJMFNISKIRW-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.84
Rot. Bonds7

About N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide

N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 614251) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID614251
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCOc1ccc(C)c(C)c1
InChIInChI=1S/C19H23NO3S/c1-13-5-6-15(11-14(13)2)23-10-9-20-19(21)17-8-7-16(24-4)12-18(17)22-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeyUEQOJMFNISKIRW-UHFFFAOYSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.84
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-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
2-methoxy-4-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 748516
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
N-[2-(2-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 614249
N-[2-(3-methylphenoxy)ethyl]-2-(methylthio)benzamide
CID 2295662
2-methoxy-4-(methylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
CID 2889735
N-cyclohexyl-2-methoxy-4-(methylsulfanyl)benzamide
CID 842497
N-[2-(4-tert-butylphenoxy)ethyl]-2-methoxybenzamide
CID 1811005
N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(methylsulfanyl)benzamide
CID 614253
N-isopropyl-2-methoxy-4-(methylthio)benzamide
CID 669888
N-benzyl-2-methoxy-N-methyl-4-(methylthio)benzamide
CID 670178
N-benzyl-2-methoxy-4-(methylsulfanyl)benzamide
CID 842265

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide (CID 614251) is N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NCCOc1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is UEQOJMFNISKIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13-5-6-15(11-14(13)2)23-10-9-20-19(21)17-8-7-16(24-4)12-18(17)22-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 614251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).