N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide

C21H22N4O3S — CID 15991460

IUPACN-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)c1
InChIInChI=1S/C21H22N4O3S/c1-27-16-6-4-5-15(13-16)22-19(26)14-29-21-20(25-9-11-28-12-10-25)23-17-7-2-3-8-18(17)24-21/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyVQIIRERRLVLKQA-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.21
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide

N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 15991460) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID15991460
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)c1
InChIInChI=1S/C21H22N4O3S/c1-27-16-6-4-5-15(13-16)22-19(26)14-29-21-20(25-9-11-28-12-10-25)23-17-7-2-3-8-18(17)24-21/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyVQIIRERRLVLKQA-UHFFFAOYSA-N
XLogP3.21
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 11625718
N-(4-Methoxyphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991418
N-cyclohexyl-6-methoxy-3-methylsulfonylquinoxalin-2-amine
CID 118726530
N-(3-Methoxy-phenyl)-2-[2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-benzoimidazol-1-yl]-acetamide
CID 650532
N-(2-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991426
N-(4-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991435
N-(2,4-Dimethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991440
N-(2-Methoxy-5-methylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991441
N-(5-Chloro-2-methoxyphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991454
N-(4-Methoxyphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332528
N-(3-Methoxyphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332561
2-{[3-(2,6-Dimethylmorpholin-4-YL)quinoxalin-2-YL]sulfanyl}-N-(4-ethoxyphenyl)acetamide
CID 22332562

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (CID 15991460) is N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is COc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is VQIIRERRLVLKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-27-16-6-4-5-15(13-16)22-19(26)14-29-21-20(25-9-11-28-12-10-25)23-17-7-2-3-8-18(17)24-21/h2-8,13H,9-12,14H2,1H3,(H,22,26).
What are the key properties of N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 410.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 15991460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).