N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide

C23H25ClN4O2S — CID 6621004

IUPACN-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide
SMILESCC1CN(c2nc3ccccc3nc2SCC(=O)NCc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C23H25ClN4O2S/c1-15-12-28(13-16(2)30-15)22-23(27-20-10-6-5-9-19(20)26-22)31-14-21(29)25-11-17-7-3-4-8-18(17)24/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)
InChIKeyBUCBCCGJJCOYIF-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.31
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide

N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide (PubChem CID 6621004) has the molecular formula C23H25ClN4O2S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide
PubChem CID6621004
Molecular FormulaC23H25ClN4O2S
Molecular Weight457.00 g/mol
Exact Mass456.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide
SMILESCC1CN(c2nc3ccccc3nc2SCC(=O)NCc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C23H25ClN4O2S/c1-15-12-28(13-16(2)30-15)22-23(27-20-10-6-5-9-19(20)26-22)31-14-21(29)25-11-17-7-3-4-8-18(17)24/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)
InChIKeyBUCBCCGJJCOYIF-UHFFFAOYSA-N
XLogP4.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 92651656
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651661
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 22332582
2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505335
2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505337
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 22332579
N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755233
N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503887
1-(4-cyclohexylpiperazin-1-yl)-2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylethanone
CID 92651646
N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332549
N-[(2-chlorophenyl)methyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 1405254
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55745875

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide (CID 6621004) is N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide is CC1CN(c2nc3ccccc3nc2SCC(=O)NCc2ccccc2Cl)CC(C)O1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is BUCBCCGJJCOYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2S/c1-15-12-28(13-16(2)30-15)22-23(27-20-10-6-5-9-19(20)26-22)31-14-21(29)25-11-17-7-3-4-8-18(17)24/h3-10,15-16H,11-14H2,1-2H3,(H,25,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 457.00 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 6621004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).