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

C22H24N4O2S — CID 22332613

IUPACN-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCCc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C22H24N4O2S/c1-2-16-7-3-4-8-17(16)23-20(27)15-29-22-21(26-11-13-28-14-12-26)24-18-9-5-6-10-19(18)25-22/h3-10H,2,11-15H2,1H3,(H,23,27)
InChIKeyBXRWOUAZAATASC-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.76
Rot. Bonds6

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

N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332613) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332613
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCCc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C22H24N4O2S/c1-2-16-7-3-4-8-17(16)23-20(27)15-29-22-21(26-11-13-28-14-12-26)24-18-9-5-6-10-19(18)25-22/h3-10H,2,11-15H2,1H3,(H,23,27)
InChIKeyBXRWOUAZAATASC-UHFFFAOYSA-N
XLogP3.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 11624425
4-[2-(2-Tert-butylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 1442463
2-(2-tert-Butyl-quinazolin-4-ylsulfanyl)-N-(4-morpholin-4-yl-phenyl)-acetamide
CID 1442464
N-(4-Morpholin-4-yl-phenyl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442655
4-{[(2-Isopropyl-4-quinazolinyl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone
CID 1442861
2-(3-Cyano-8-methyl-quinolin-2-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 3207678
N-(3-ethylphenyl)-2-((3-(piperidin-1-yl)quinoxalin-2-yl)thio)acetamide
CID 15988512
N-(4-Butylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991419
N-(3-Methylphenyl)-2-{[3-(4-methylpiperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991424
N-(4-Butylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991436
N-[4-(acetylamino)phenyl]-2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]thio}acetamide
CID 15991457
N~1~-(2-ethyl-6-methylphenyl)-2-[(3-morpholino-2-quinoxalinyl)sulfanyl]acetamide
CID 15991458

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332613) is N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is BXRWOUAZAATASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-2-16-7-3-4-8-17(16)23-20(27)15-29-22-21(26-11-13-28-14-12-26)24-18-9-5-6-10-19(18)25-22/h3-10H,2,11-15H2,1H3,(H,23,27).
What are the key properties of N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 408.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).