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

C22H23N3O2S — CID 42942880

IUPACN-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1noc(CSc2ccc(C(=O)N(C)C3CCCc4ccccc43)cc2)n1
InChIInChI=1S/C22H23N3O2S/c1-15-23-21(27-24-15)14-28-18-12-10-17(11-13-18)22(26)25(2)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,20H,5,7,9,14H2,1-2H3
InChIKeyJRLHBJPBQLUSST-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.82
Rot. Bonds5

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

N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 42942880) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID42942880
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1noc(CSc2ccc(C(=O)N(C)C3CCCc4ccccc43)cc2)n1
InChIInChI=1S/C22H23N3O2S/c1-15-23-21(27-24-15)14-28-18-12-10-17(11-13-18)22(26)25(2)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,20H,5,7,9,14H2,1-2H3
InChIKeyJRLHBJPBQLUSST-UHFFFAOYSA-N
XLogP4.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N,3-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 94823990
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
CID 72837156
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
tert-butyl N-[[4-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenyl]methyl]carbamate
CID 46555150
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 45208937
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 154911735

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 42942880) is N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is Cc1noc(CSc2ccc(C(=O)N(C)C3CCCc4ccccc43)cc2)n1.
What is the InChIKey of N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is JRLHBJPBQLUSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-23-21(27-24-15)14-28-18-12-10-17(11-13-18)22(26)25(2)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,20H,5,7,9,14H2,1-2H3.
What are the key properties of N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 42942880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).