2-methoxy-4-methylsulfanyl-N-phenylbenzamide

C15H15NO2S — CID 669865

IUPAC2-methoxy-4-methylsulfanyl-N-phenylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H15NO2S/c1-18-14-10-12(19-2)8-9-13(14)15(17)16-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17)
InChIKeyDJVYNAMGIBOBFU-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.67
Rot. Bonds4

About 2-methoxy-4-methylsulfanyl-N-phenylbenzamide

2-methoxy-4-methylsulfanyl-N-phenylbenzamide (PubChem CID 669865) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-phenylbenzamide
PubChem CID669865
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-methoxy-4-methylsulfanyl-N-phenylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H15NO2S/c1-18-14-10-12(19-2)8-9-13(14)15(17)16-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17)
InChIKeyDJVYNAMGIBOBFU-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-phenylbenzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-phenylbenzamide (CID 669865) is 2-methoxy-4-methylsulfanyl-N-phenylbenzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-phenylbenzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-phenylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-phenylbenzamide?
The InChIKey is DJVYNAMGIBOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-14-10-12(19-2)8-9-13(14)15(17)16-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-phenylbenzamide?
2-methoxy-4-methylsulfanyl-N-phenylbenzamide has a molecular weight of 273.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-phenylbenzamide is sourced from PubChem (CID 669865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).