N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide

C18H18N4O2S — CID 90647380

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1nnc(CN(C)C(=O)c2ccc(CSc3ccccn3)cc2)o1
InChIInChI=1S/C18H18N4O2S/c1-13-20-21-16(24-13)11-22(2)18(23)15-8-6-14(7-9-15)12-25-17-5-3-4-10-19-17/h3-10H,11-12H2,1-2H3
InChIKeyHJNXKUSZCFOTMD-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.34
Rot. Bonds6

About N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 90647380) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID90647380
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1nnc(CN(C)C(=O)c2ccc(CSc3ccccn3)cc2)o1
InChIInChI=1S/C18H18N4O2S/c1-13-20-21-16(24-13)11-22(2)18(23)15-8-6-14(7-9-15)12-25-17-5-3-4-10-19-17/h3-10H,11-12H2,1-2H3
InChIKeyHJNXKUSZCFOTMD-UHFFFAOYSA-N
XLogP3.34
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 166210314
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide
CID 169421992
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131949243
2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine
CID 39529079
N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 980324
[4-(pyridin-2-ylsulfanylmethyl)phenyl]boronic acid
CID 54969034
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131905838
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 8708398
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-[4-(pyridin-2-ylsulfanylmethyl)phenyl]methanone
CID 70776071
(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 25460689
N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
CID 134010652

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide (CID 90647380) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide is Cc1nnc(CN(C)C(=O)c2ccc(CSc3ccccn3)cc2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is HJNXKUSZCFOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-20-21-16(24-13)11-22(2)18(23)15-8-6-14(7-9-15)12-25-17-5-3-4-10-19-17/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 354.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 90647380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).