N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C14H15N3O2S — CID 863161

IUPACN-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccc(C)n2)cc1
InChIInChI=1S/C14H15N3O2S/c1-10-7-8-15-14(16-10)20-9-13(18)17-11-3-5-12(19-2)6-4-11/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyBQWSXXRNAXZRSS-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.52
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 863161) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID863161
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccc(C)n2)cc1
InChIInChI=1S/C14H15N3O2S/c1-10-7-8-15-14(16-10)20-9-13(18)17-11-3-5-12(19-2)6-4-11/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyBQWSXXRNAXZRSS-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Pyrimidin-2-yloxy)aniline
CID 1484610
N-(4-methoxyphenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 16757346
N-[4-(2-pyrimidinyloxy)phenyl]acetamide
CID 1487531
N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745
1-(2-Ethoxyphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2927186
N-(4-methoxyphenyl)-2-{[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 3161723
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 3221265
2-Methylsulfanyl-pyrimidine-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 6489028
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 16301378
1-(4-Ethoxyphenyl)-3-pyrimidin-2-ylsulfanylpyrrolidine-2,5-dione
CID 2905689
N-(4-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 1090234
3-Ethyl-1-(4-methoxyphenyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 44412875

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 863161) is N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nccc(C)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is BQWSXXRNAXZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-7-8-15-14(16-10)20-9-13(18)17-11-3-5-12(19-2)6-4-11/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 289.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 863161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).