2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide

C19H23FN4OS — CID 53136807

IUPAC2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCC1CCCCN1c1cc(SCC(=O)Nc2ccccc2F)ncn1
InChIInChI=1S/C19H23FN4OS/c1-2-14-7-5-6-10-24(14)17-11-19(22-13-21-17)26-12-18(25)23-16-9-4-3-8-15(16)20/h3-4,8-9,11,13-14H,2,5-7,10,12H2,1H3,(H,23,25)
InChIKeyYZYUIUCFTXVBGZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.12
Rot. Bonds6

About 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide

2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 53136807) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID53136807
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC Name2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCC1CCCCN1c1cc(SCC(=O)Nc2ccccc2F)ncn1
InChIInChI=1S/C19H23FN4OS/c1-2-14-7-5-6-10-24(14)17-11-19(22-13-21-17)26-12-18(25)23-16-9-4-3-8-15(16)20/h3-4,8-9,11,13-14H,2,5-7,10,12H2,1H3,(H,23,25)
InChIKeyYZYUIUCFTXVBGZ-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50928699
N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50928697
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
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354878
N-(3-chloro-4-fluorophenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093369
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-(2,4-difluorophenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288660
N-cyclopentyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109341455
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
N-(3-chloro-2-methylphenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50841202
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 53136807) is 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide is CCC1CCCCN1c1cc(SCC(=O)Nc2ccccc2F)ncn1.
What is the InChIKey of 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is YZYUIUCFTXVBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/c1-2-14-7-5-6-10-24(14)17-11-19(22-13-21-17)26-12-18(25)23-16-9-4-3-8-15(16)20/h3-4,8-9,11,13-14H,2,5-7,10,12H2,1H3,(H,23,25).
What are the key properties of 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 53136807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).