N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide

C19H20N4O2S — CID 9323312

IUPACN-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)Cn2nc(-c3ccccc3)oc2=S)cc1
InChIInChI=1S/C19H20N4O2S/c1-20-17(24)15-10-8-14(9-11-15)12-22(2)13-23-19(26)25-18(21-23)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyFZQKQRYRMWZZBZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.32
Rot. Bonds6

About N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide (PubChem CID 9323312) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
PubChem CID9323312
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)Cn2nc(-c3ccccc3)oc2=S)cc1
InChIInChI=1S/C19H20N4O2S/c1-20-17(24)15-10-8-14(9-11-15)12-22(2)13-23-19(26)25-18(21-23)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyFZQKQRYRMWZZBZ-UHFFFAOYSA-N
XLogP3.32
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[[methyl-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323541
3-[[benzyl(methyl)amino]methyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole-2-thione
CID 9242244
N-methyl-4-[[methyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
CID 36742051
N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide
CID 9323972
N-methyl-4-[[methyl-[(3-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]amino]methyl]benzamide
CID 9323180
N-methyl-4-[[methyl-[(5-propylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323700
N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide
CID 9323479
4-[[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 27393082
5-(4-fluorophenyl)-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]-1,3,4-oxadiazole-2-thione
CID 9318923
3-[[benzyl(methyl)amino]methyl]-5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-thione
CID 2375552
4-[[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 9323214
N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
CID 9323282

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide (CID 9323312) is N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)Cn2nc(-c3ccccc3)oc2=S)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide?
The InChIKey is FZQKQRYRMWZZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-20-17(24)15-10-8-14(9-11-15)12-22(2)13-23-19(26)25-18(21-23)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 9323312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).