N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide

C19H24N4O3S — CID 95919448

IUPACN-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccnc2N2CCCCC2)c(OC)c1
InChIInChI=1S/C19H24N4O3S/c1-25-14-6-7-15(16(12-14)26-2)22-17(24)13-27-19-18(20-8-9-21-19)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,24)
InChIKeyLSTWYUGCQLBUAY-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.21
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide (PubChem CID 95919448) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
PubChem CID95919448
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccnc2N2CCCCC2)c(OC)c1
InChIInChI=1S/C19H24N4O3S/c1-25-14-6-7-15(16(12-14)26-2)22-17(24)13-27-19-18(20-8-9-21-19)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,24)
InChIKeyLSTWYUGCQLBUAY-UHFFFAOYSA-N
XLogP3.21
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 53073764
N-(2-ethoxyphenyl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 46393657
N-(2,4-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6459909
N-(2,4-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16832648
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(5-chloro-2-methoxyphenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 50838395
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 18579425
N-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372451
2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46393622
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996537
2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 50836633

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide (CID 95919448) is N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nccnc2N2CCCCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide?
The InChIKey is LSTWYUGCQLBUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-25-14-6-7-15(16(12-14)26-2)22-17(24)13-27-19-18(20-8-9-21-19)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide has a molecular weight of 388.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 95919448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).