N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide

C15H20F2N2OS — CID 75433455

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide
SMILESCC(NC(=O)CN(C)C1CCSC1)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2OS/c1-10(13-4-3-11(16)7-14(13)17)18-15(20)8-19(2)12-5-6-21-9-12/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyMGUBZYPGQFTAKL-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.58
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide (PubChem CID 75433455) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide
PubChem CID75433455
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide
SMILESCC(NC(=O)CN(C)C1CCSC1)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2OS/c1-10(13-4-3-11(16)7-14(13)17)18-15(20)8-19(2)12-5-6-21-9-12/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyMGUBZYPGQFTAKL-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide
CID 98853448
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594865
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8794225
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-4-yl)acetamide
CID 177351833
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide
CID 177351972
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
1-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8557038
N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 41230794
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide (CID 75433455) is N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide is CC(NC(=O)CN(C)C1CCSC1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide?
The InChIKey is MGUBZYPGQFTAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-10(13-4-3-11(16)7-14(13)17)18-15(20)8-19(2)12-5-6-21-9-12/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide has a molecular weight of 314.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide is sourced from PubChem (CID 75433455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).