N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

C16H18F2N2OS2 — CID 8717898

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccs1
InChIInChI=1S/C16H18F2N2OS2/c1-2-20(10-14-4-3-9-22-14)11-15(21)19-12-5-7-13(8-6-12)23-16(17)18/h3-9,16H,2,10-11H2,1H3,(H,19,21)
InChIKeyAFVFXOXSRCQUNU-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.52
Rot. Bonds8

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8717898) has the molecular formula C16H18F2N2OS2 and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8717898
Molecular FormulaC16H18F2N2OS2
Molecular Weight356.46 g/mol
Exact Mass356.08
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccs1
InChIInChI=1S/C16H18F2N2OS2/c1-2-20(10-14-4-3-9-22-14)11-15(21)19-12-5-7-13(8-6-12)23-16(17)18/h3-9,16H,2,10-11H2,1H3,(H,19,21)
InChIKeyAFVFXOXSRCQUNU-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (CID 8717898) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccs1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is AFVFXOXSRCQUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2OS2/c1-2-20(10-14-4-3-9-22-14)11-15(21)19-12-5-7-13(8-6-12)23-16(17)18/h3-9,16H,2,10-11H2,1H3,(H,19,21).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 356.46 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8717898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).