N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide

C21H26N2O2S — CID 34827481

IUPACN,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-4-23(5-2)21(25)18-10-8-17(9-11-18)14-22-20(24)15-26-19-12-6-16(3)7-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyJSJMMMYLYPMENK-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.89
Rot. Bonds8

About N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide

N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide (PubChem CID 34827481) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
PubChem CID34827481
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-4-23(5-2)21(25)18-10-8-17(9-11-18)14-22-20(24)15-26-19-12-6-16(3)7-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyJSJMMMYLYPMENK-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
CID 51332839
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945744
2-(4-methylphenyl)sulfanyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 99970874
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
CID 119712847
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46587644
N,N-diethyl-4-[[4-(methylamino)butanoylamino]methyl]benzamide;hydrochloride
CID 119712810
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide (CID 34827481) is N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide is CCN(CC)C(=O)c1ccc(CNC(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide?
The InChIKey is JSJMMMYLYPMENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-4-23(5-2)21(25)18-10-8-17(9-11-18)14-22-20(24)15-26-19-12-6-16(3)7-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,24).
What are the key properties of N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide?
N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide has a molecular weight of 370.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide is sourced from PubChem (CID 34827481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).