N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide

C21H28N4OS — CID 50928699

IUPACN-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
SMILESCCC1CCCCN1c1cc(SCC(=O)Nc2cccc(C)c2C)ncn1
InChIInChI=1S/C21H28N4OS/c1-4-17-9-5-6-11-25(17)19-12-21(23-14-22-19)27-13-20(26)24-18-10-7-8-15(2)16(18)3/h7-8,10,12,14,17H,4-6,9,11,13H2,1-3H3,(H,24,26)
InChIKeyGZTXJLVLNDTGED-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.59
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide

N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide (PubChem CID 50928699) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
PubChem CID50928699
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
SMILESCCC1CCCCN1c1cc(SCC(=O)Nc2cccc(C)c2C)ncn1
InChIInChI=1S/C21H28N4OS/c1-4-17-9-5-6-11-25(17)19-12-21(23-14-22-19)27-13-20(26)24-18-10-7-8-15(2)16(18)3/h7-8,10,12,14,17H,4-6,9,11,13H2,1-3H3,(H,24,26)
InChIKeyGZTXJLVLNDTGED-UHFFFAOYSA-N
XLogP4.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 53136807
N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50928697
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354878
N-(3-chloro-2-methylphenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50841202
N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093333
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
N-(2-chloro-4-fluorophenyl)-2-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136701
N-(2-chloro-4-fluorophenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093364
N-(2,3-dimethylphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 86790583
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694491

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide (CID 50928699) is N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide is CCC1CCCCN1c1cc(SCC(=O)Nc2cccc(C)c2C)ncn1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is GZTXJLVLNDTGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-4-17-9-5-6-11-25(17)19-12-21(23-14-22-19)27-13-20(26)24-18-10-7-8-15(2)16(18)3/h7-8,10,12,14,17H,4-6,9,11,13H2,1-3H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 384.55 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 50928699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).