N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide

C13H18F2N2O2S — CID 2425772

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide
SMILESCOC[C@@H](C)NCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2S/c1-9(8-19-2)16-7-12(18)17-10-3-5-11(6-4-10)20-13(14)15/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyVBQDOYBKQAXTPR-SECBINFHSA-N
MW304.36 g/mol
LogP2.56
Rot. Bonds8

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide (PubChem CID 2425772) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide
PubChem CID2425772
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide
SMILESCOC[C@@H](C)NCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2S/c1-9(8-19-2)16-7-12(18)17-10-3-5-11(6-4-10)20-13(14)15/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyVBQDOYBKQAXTPR-SECBINFHSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide (CID 2425772) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide is COC[C@@H](C)NCC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide?
The InChIKey is VBQDOYBKQAXTPR-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-9(8-19-2)16-7-12(18)17-10-3-5-11(6-4-10)20-13(14)15/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide has a molecular weight of 304.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide is sourced from PubChem (CID 2425772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).