N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide

C18H20F2N4O2S — CID 24819676

IUPACN-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C18H20F2N4O2S/c1-4-24(9-15(25)23-17-13(19)6-5-7-14(17)20)16(26)10-27-18-21-11(2)8-12(3)22-18/h5-8H,4,9-10H2,1-3H3,(H,23,25)
InChIKeyRKYUFWDASSLUIK-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.95
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide

N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide (PubChem CID 24819676) has the molecular formula C18H20F2N4O2S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide
PubChem CID24819676
Molecular FormulaC18H20F2N4O2S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C18H20F2N4O2S/c1-4-24(9-15(25)23-17-13(19)6-5-7-14(17)20)16(26)10-27-18-21-11(2)8-12(3)22-18/h5-8H,4,9-10H2,1-3H3,(H,23,25)
InChIKeyRKYUFWDASSLUIK-UHFFFAOYSA-N
XLogP2.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]acetamide
CID 9522851
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 851324
4-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2161841
N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 3240772
1-[2-[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
CID 649304
4-Methyl-2-pyrimidinyl 2-oxo-2-(4-phenyl-1-piperazinyl)ethyl sulfide
CID 851620
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 1090938
N-(tert-butyl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]ace tamide
CID 1146213
1-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one
CID 2165095
2-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio}-N-phenylacetamide
CID 2225054
N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2562985
2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 3144676

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide (CID 24819676) is N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1nc(C)cc(C)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide?
The InChIKey is RKYUFWDASSLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2S/c1-4-24(9-15(25)23-17-13(19)6-5-7-14(17)20)16(26)10-27-18-21-11(2)8-12(3)22-18/h5-8H,4,9-10H2,1-3H3,(H,23,25).
What are the key properties of N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide?
N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide has a molecular weight of 394.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide is sourced from PubChem (CID 24819676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).