N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide

C19H23NO3S — CID 23823481

IUPACN-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCCOc1ccccc1CCNC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C19H23NO3S/c1-4-23-17-8-6-5-7-14(17)11-12-20-19(21)16-10-9-15(24-3)13-18(16)22-2/h5-10,13H,4,11-12H2,1-3H3,(H,20,21)
InChIKeyFKZBCBCNFJFKOU-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.79
Rot. Bonds8

About N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide

N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 23823481) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID23823481
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCCOc1ccccc1CCNC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C19H23NO3S/c1-4-23-17-8-6-5-7-14(17)11-12-20-19(21)16-10-9-15(24-3)13-18(16)22-2/h5-10,13H,4,11-12H2,1-3H3,(H,20,21)
InChIKeyFKZBCBCNFJFKOU-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
CID 7924721
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 120630743
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 9200733
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 9200783
2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891624
N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 74246247
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide (CID 23823481) is N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide is CCOc1ccccc1CCNC(=O)c1ccc(SC)cc1OC.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is FKZBCBCNFJFKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-4-23-17-8-6-5-7-14(17)11-12-20-19(21)16-10-9-15(24-3)13-18(16)22-2/h5-10,13H,4,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 23823481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).