N-benzyl-N-methyl-2-methylsulfanylbenzamide

C16H17NOS — CID 1294128

IUPACN-benzyl-N-methyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H17NOS/c1-17(12-13-8-4-3-5-9-13)16(18)14-10-6-7-11-15(14)19-2/h3-11H,12H2,1-2H3
InChIKeyXSERSDJJABDAPS-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.68
Rot. Bonds4

About N-benzyl-N-methyl-2-methylsulfanylbenzamide

N-benzyl-N-methyl-2-methylsulfanylbenzamide (PubChem CID 1294128) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-methylsulfanylbenzamide
PubChem CID1294128
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-benzyl-N-methyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H17NOS/c1-17(12-13-8-4-3-5-9-13)16(18)14-10-6-7-11-15(14)19-2/h3-11H,12H2,1-2H3
InChIKeyXSERSDJJABDAPS-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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-methylsulfanylbenzamide?
The IUPAC name of N-benzyl-N-methyl-2-methylsulfanylbenzamide (CID 1294128) is N-benzyl-N-methyl-2-methylsulfanylbenzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-methylsulfanylbenzamide?
The canonical SMILES for N-benzyl-N-methyl-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-methylsulfanylbenzamide?
The InChIKey is XSERSDJJABDAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-17(12-13-8-4-3-5-9-13)16(18)14-10-6-7-11-15(14)19-2/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-methylsulfanylbenzamide?
N-benzyl-N-methyl-2-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-2-methylsulfanylbenzamide is sourced from PubChem (CID 1294128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).