4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide

C16H17NO2S — CID 9153906

IUPAC4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-19-11-12-3-5-13(6-4-12)16(18)17-14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyNPGDFQVGTMULBN-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.81
Rot. Bonds5

About 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide

4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 9153906) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
PubChem CID9153906
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-19-11-12-3-5-13(6-4-12)16(18)17-14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyNPGDFQVGTMULBN-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
(4-methylsulfanylphenyl)methyl 4-(carbamoylamino)benzoate
CID 2528078
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide (CID 9153906) is 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide is COCc1ccc(C(=O)Nc2ccc(SC)cc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is NPGDFQVGTMULBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-11-12-3-5-13(6-4-12)16(18)17-14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide?
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 287.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9153906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).