N-benzyl-N-methyl-4-methylsulfanylbenzamide

C16H17NOS — CID 78791696

IUPACN-benzyl-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-17(12-13-6-4-3-5-7-13)16(18)14-8-10-15(19-2)11-9-14/h3-11H,12H2,1-2H3
InChIKeyAYNZPQSDJFHCJY-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.68
Rot. Bonds4

About N-benzyl-N-methyl-4-methylsulfanylbenzamide

N-benzyl-N-methyl-4-methylsulfanylbenzamide (PubChem CID 78791696) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-methylsulfanylbenzamide
PubChem CID78791696
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-benzyl-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-17(12-13-6-4-3-5-7-13)16(18)14-8-10-15(19-2)11-9-14/h3-11H,12H2,1-2H3
InChIKeyAYNZPQSDJFHCJY-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide
CID 26619242
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 36725167
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26019047
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78771299

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-benzyl-N-methyl-4-methylsulfanylbenzamide (CID 78791696) is N-benzyl-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-benzyl-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-benzyl-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is AYNZPQSDJFHCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-17(12-13-6-4-3-5-7-13)16(18)14-8-10-15(19-2)11-9-14/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-methylsulfanylbenzamide?
N-benzyl-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 271.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 78791696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).