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

C19H22N2O2S — CID 38748417

IUPACN-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-14-4-10-17(11-5-14)24-13-18(22)21(3)12-15-6-8-16(9-7-15)19(23)20-2/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyCBWLNWJZAZYXHU-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.11
Rot. Bonds6

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

N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide (PubChem CID 38748417) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
PubChem CID38748417
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-14-4-10-17(11-5-14)24-13-18(22)21(3)12-15-6-8-16(9-7-15)19(23)20-2/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyCBWLNWJZAZYXHU-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 8965223
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
4-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 51233025
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide
CID 55428428
N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide
CID 26722353
4-[[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 46436447
N-[2-(dimethylamino)ethyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 142825753
2-(4-bromophenyl)sulfanyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 26570911
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide
CID 26722166
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4790020

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide (CID 38748417) is N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide?
The InChIKey is CBWLNWJZAZYXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-4-10-17(11-5-14)24-13-18(22)21(3)12-15-6-8-16(9-7-15)19(23)20-2/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide is sourced from PubChem (CID 38748417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).