N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide

C23H26N4OS — CID 15991424

IUPACN-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)c1
InChIInChI=1S/C23H26N4OS/c1-16-10-12-27(13-11-16)22-23(26-20-9-4-3-8-19(20)25-22)29-15-21(28)24-18-7-5-6-17(2)14-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,28)
InChIKeySEBDUVXCECYTKX-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.91
Rot. Bonds5

About N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide

N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide (PubChem CID 15991424) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
PubChem CID15991424
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)c1
InChIInChI=1S/C23H26N4OS/c1-16-10-12-27(13-11-16)22-23(26-20-9-4-3-8-19(20)25-22)29-15-21(28)24-18-7-5-6-17(2)14-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,28)
InChIKeySEBDUVXCECYTKX-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide (CID 15991424) is N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is SEBDUVXCECYTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-16-10-12-27(13-11-16)22-23(26-20-9-4-3-8-19(20)25-22)29-15-21(28)24-18-7-5-6-17(2)14-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,28).
What are the key properties of N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 406.56 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 15991424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).