N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide

C23H25ClN4O2S — CID 92651661

IUPACN-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cc1Cl
InChIInChI=1S/C23H25ClN4O2S/c1-14-8-9-17(10-18(14)24)25-21(29)13-31-23-22(28-11-15(2)30-16(3)12-28)26-19-6-4-5-7-20(19)27-23/h4-10,15-16H,11-13H2,1-3H3,(H,25,29)/t15-,16-/m0/s1
InChIKeyBCKRPIPUDRKWTG-HOTGVXAUSA-N
MW457.00 g/mol
LogP4.94
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide (PubChem CID 92651661) has the molecular formula C23H25ClN4O2S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
PubChem CID92651661
Molecular FormulaC23H25ClN4O2S
Molecular Weight457.00 g/mol
Exact Mass456.14
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cc1Cl
InChIInChI=1S/C23H25ClN4O2S/c1-14-8-9-17(10-18(14)24)25-21(29)13-31-23-22(28-11-15(2)30-16(3)12-28)26-19-6-4-5-7-20(19)27-23/h4-10,15-16H,11-13H2,1-3H3,(H,25,29)/t15-,16-/m0/s1
InChIKeyBCKRPIPUDRKWTG-HOTGVXAUSA-N
XLogP4.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651660
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
N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide
CID 6621004
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 22332582
N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332652
N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332533
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 975863
N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
CID 22332601
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
N-(3-chloro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935978

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide (CID 92651661) is N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is BCKRPIPUDRKWTG-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H25ClN4O2S/c1-14-8-9-17(10-18(14)24)25-21(29)13-31-23-22(28-11-15(2)30-16(3)12-28)26-19-6-4-5-7-20(19)27-23/h4-10,15-16H,11-13H2,1-3H3,(H,25,29)/t15-,16-/m0/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 457.00 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 92651661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).