2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide

C17H21NO2S2 — CID 71810354

IUPAC2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCOC(CNC(=O)CSCc1ccccc1)c1ccc(C)s1
InChIInChI=1S/C17H21NO2S2/c1-13-8-9-16(22-13)15(20-2)10-18-17(19)12-21-11-14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3,(H,18,19)
InChIKeyNWICCLSOWBMLOP-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.79
Rot. Bonds8

About 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide

2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 71810354) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
PubChem CID71810354
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC Name2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCOC(CNC(=O)CSCc1ccccc1)c1ccc(C)s1
InChIInChI=1S/C17H21NO2S2/c1-13-8-9-16(22-13)15(20-2)10-18-17(19)12-21-11-14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3,(H,18,19)
InChIKeyNWICCLSOWBMLOP-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide (CID 71810354) is 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide is COC(CNC(=O)CSCc1ccccc1)c1ccc(C)s1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is NWICCLSOWBMLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-13-8-9-16(22-13)15(20-2)10-18-17(19)12-21-11-14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 335.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 71810354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).