2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide

C18H21NO2S — CID 131916444

IUPAC2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1cccc(C)c1C(=O)N(C)CCSc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14-8-7-11-16(21-3)17(14)18(20)19(2)12-13-22-15-9-5-4-6-10-15/h4-11H,12-13H2,1-3H3
InChIKeySMXNAKGQCHKRLJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.87
Rot. Bonds6

About 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide

2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 131916444) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide
PubChem CID131916444
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1cccc(C)c1C(=O)N(C)CCSc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14-8-7-11-16(21-3)17(14)18(20)19(2)12-13-22-15-9-5-4-6-10-15/h4-11H,12-13H2,1-3H3
InChIKeySMXNAKGQCHKRLJ-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide (CID 131916444) is 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide is COc1cccc(C)c1C(=O)N(C)CCSc1ccccc1.
What is the InChIKey of 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is SMXNAKGQCHKRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-8-7-11-16(21-3)17(14)18(20)19(2)12-13-22-15-9-5-4-6-10-15/h4-11H,12-13H2,1-3H3.
What are the key properties of 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide?
2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 315.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 131916444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).