N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C15H19N3OS2 — CID 40682887

IUPACN-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N[C@H](C)c2cccs2)nc(C)c1C
InChIInChI=1S/C15H19N3OS2/c1-9-10(2)17-15(18-11(9)3)21-8-14(19)16-12(4)13-6-5-7-20-13/h5-7,12H,8H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyRMBOTQJJSSVMMB-GFCCVEGCSA-N
MW321.47 g/mol
LogP3.43
Rot. Bonds5

About N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 40682887) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID40682887
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N[C@H](C)c2cccs2)nc(C)c1C
InChIInChI=1S/C15H19N3OS2/c1-9-10(2)17-15(18-11(9)3)21-8-14(19)16-12(4)13-6-5-7-20-13/h5-7,12H,8H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyRMBOTQJJSSVMMB-GFCCVEGCSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 40789946
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40819742
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18198236
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16539608
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 78766128
2-(2-amino-4-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 43302605
N-[(1S)-1-thiophen-2-ylethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 40701155
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 79140976
2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 43237373

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 40682887) is N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)N[C@H](C)c2cccs2)nc(C)c1C.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is RMBOTQJJSSVMMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-9-10(2)17-15(18-11(9)3)21-8-14(19)16-12(4)13-6-5-7-20-13/h5-7,12H,8H2,1-4H3,(H,16,19)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 321.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 40682887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).