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

C20H26N2O2S — CID 3730125

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCCN(CCNC(=O)c1ccc(SC)cc1OC)c1cccc(C)c1
InChIInChI=1S/C20H26N2O2S/c1-5-22(16-8-6-7-15(2)13-16)12-11-21-20(23)18-10-9-17(25-4)14-19(18)24-3/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyYQUQTEUBNWLOLX-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.98
Rot. Bonds8

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

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 3730125) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID3730125
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCCN(CCNC(=O)c1ccc(SC)cc1OC)c1cccc(C)c1
InChIInChI=1S/C20H26N2O2S/c1-5-22(16-8-6-7-15(2)13-16)12-11-21-20(23)18-10-9-17(25-4)14-19(18)24-3/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyYQUQTEUBNWLOLX-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107
N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
CID 7924721
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide
CID 52754815
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
2-(5-acetyl-2-methoxyphenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 39910739
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 23823481

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide (CID 3730125) is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide is CCN(CCNC(=O)c1ccc(SC)cc1OC)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is YQUQTEUBNWLOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-5-22(16-8-6-7-15(2)13-16)12-11-21-20(23)18-10-9-17(25-4)14-19(18)24-3/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 358.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 3730125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).