N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide

C20H26N4OS — CID 50836439

IUPACN-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nccnc2N2CCCC(C)C2)c1
InChIInChI=1S/C20H26N4OS/c1-14-5-4-8-24(12-14)19-20(22-7-6-21-19)26-13-18(25)23-17-10-15(2)9-16(3)11-17/h6-7,9-11,14H,4-5,8,12-13H2,1-3H3,(H,23,25)
InChIKeyMTQCOVZDEAXIKJ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.06
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide

N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide (PubChem CID 50836439) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide
PubChem CID50836439
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nccnc2N2CCCC(C)C2)c1
InChIInChI=1S/C20H26N4OS/c1-14-5-4-8-24(12-14)19-20(22-7-6-21-19)26-13-18(25)23-17-10-15(2)9-16(3)11-17/h6-7,9-11,14H,4-5,8,12-13H2,1-3H3,(H,23,25)
InChIKeyMTQCOVZDEAXIKJ-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 52999698
N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899128
N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896918
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 24591488
N-(3-fluoro-4-methylphenyl)-2-[[2-[(3S)-3-methylpiperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 93072205
N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
CID 27476098
N-(4-chlorophenyl)-2-[[2-[(3S)-3-methylpiperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 93072158
N-(4-bromophenyl)-2-[[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 52999721
2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46393622
N-(2-chloro-4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899153
N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919448
N-(2,5-dimethylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093193

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide (CID 50836439) is N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2nccnc2N2CCCC(C)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide?
The InChIKey is MTQCOVZDEAXIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-14-5-4-8-24(12-14)19-20(22-7-6-21-19)26-13-18(25)23-17-10-15(2)9-16(3)11-17/h6-7,9-11,14H,4-5,8,12-13H2,1-3H3,(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide?
N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide has a molecular weight of 370.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 50836439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).