N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

C23H26N4OS — CID 22332588

IUPACN-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1
InChIInChI=1S/C23H26N4OS/c1-16-12-17(2)14-18(13-16)24-21(28)15-29-23-22(27-10-6-3-7-11-27)25-19-8-4-5-9-20(19)26-23/h4-5,8-9,12-14H,3,6-7,10-11,15H2,1-2H3,(H,24,28)
InChIKeyXKGYWYCYFKLPGG-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.97
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332588) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332588
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1
InChIInChI=1S/C23H26N4OS/c1-16-12-17(2)14-18(13-16)24-21(28)15-29-23-22(27-10-6-3-7-11-27)25-19-8-4-5-9-20(19)26-23/h4-5,8-9,12-14H,3,6-7,10-11,15H2,1-2H3,(H,24,28)
InChIKeyXKGYWYCYFKLPGG-UHFFFAOYSA-N
XLogP4.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332588) is N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is XKGYWYCYFKLPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-16-12-17(2)14-18(13-16)24-21(28)15-29-23-22(27-10-6-3-7-11-27)25-19-8-4-5-9-20(19)26-23/h4-5,8-9,12-14H,3,6-7,10-11,15H2,1-2H3,(H,24,28).
What are the key properties of N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 406.56 g/mol, XLogP of 4.97, 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-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).