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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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).