2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide

C18H22N4O2S — CID 9493889

IUPAC2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H22N4O2S/c1-12-5-7-15(8-6-12)21-16(23)10-22(4)17(24)11-25-18-19-13(2)9-14(3)20-18/h5-9H,10-11H2,1-4H3,(H,21,23)
InChIKeyKIDIATCWTWJTOB-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.59
Rot. Bonds6

About 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 9493889) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID9493889
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H22N4O2S/c1-12-5-7-15(8-6-12)21-16(23)10-22(4)17(24)11-25-18-19-13(2)9-14(3)20-18/h5-9H,10-11H2,1-4H3,(H,21,23)
InChIKeyKIDIATCWTWJTOB-UHFFFAOYSA-N
XLogP2.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 2592809
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2889774
N-(2,6-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]acetamide
CID 9522851
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
4-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2161841
N-(2-Amino-4,6-dimethyl-pyrimidin-5-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10183697
2-(butylthio)-4-(dimethylamino)-8-(4-fluorobenzyl)pteridine-6,7(5H,8H)-dione
CID 25267260
N-(2-Morpholin-4-yl-ethyl)-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propionamide
CID 648112
1-[2-[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
CID 649304
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 851325
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-m-tolyl-3,5-dihydro-imidazol-4-one
CID 915367

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 9493889) is 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is KIDIATCWTWJTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-5-7-15(8-6-12)21-16(23)10-22(4)17(24)11-25-18-19-13(2)9-14(3)20-18/h5-9H,10-11H2,1-4H3,(H,21,23).
What are the key properties of 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9493889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).