N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide

C17H19NO2S — CID 670178

IUPACN-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-18(12-13-7-5-4-6-8-13)17(19)15-10-9-14(21-3)11-16(15)20-2/h4-11H,12H2,1-3H3
InChIKeyXNQJBVPZJSQKOG-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.69
Rot. Bonds5

About N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide

N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide (PubChem CID 670178) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide
PubChem CID670178
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-18(12-13-7-5-4-6-8-13)17(19)15-10-9-14(21-3)11-16(15)20-2/h4-11H,12H2,1-3H3
InChIKeyXNQJBVPZJSQKOG-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide (CID 670178) is N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is XNQJBVPZJSQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18(12-13-7-5-4-6-8-13)17(19)15-10-9-14(21-3)11-16(15)20-2/h4-11H,12H2,1-3H3.
What are the key properties of N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide?
N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 670178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).