N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide

C13H19FN2O2S — CID 106246982

IUPACN-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide
SMILESCSCC(C)(O)CNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S/c1-13(18,9-19-2)8-15-7-12(17)16-11-5-3-10(14)4-6-11/h3-6,15,18H,7-9H2,1-2H3,(H,16,17)
InChIKeyLHBHTLIDISIUPE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.47
Rot. Bonds7

About N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide

N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide (PubChem CID 106246982) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide
PubChem CID106246982
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide
SMILESCSCC(C)(O)CNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S/c1-13(18,9-19-2)8-15-7-12(17)16-11-5-3-10(14)4-6-11/h3-6,15,18H,7-9H2,1-2H3,(H,16,17)
InChIKeyLHBHTLIDISIUPE-UHFFFAOYSA-N
XLogP1.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 66186004
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143170
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
1-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95981164
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
2-(2,2-difluoroethylamino)-N-(4-fluorophenyl)acetamide
CID 115406808
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61219635
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-(4-fluorophenyl)-2-[[N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111609927
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide (CID 106246982) is N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide is CSCC(C)(O)CNCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide?
The InChIKey is LHBHTLIDISIUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-13(18,9-19-2)8-15-7-12(17)16-11-5-3-10(14)4-6-11/h3-6,15,18H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide?
N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide has a molecular weight of 286.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetamide is sourced from PubChem (CID 106246982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).