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

C22H24N4O3S — CID 15991435

IUPACN-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-2-29-17-9-7-16(8-10-17)23-20(27)15-30-22-21(26-11-13-28-14-12-26)24-18-5-3-4-6-19(18)25-22/h3-10H,2,11-15H2,1H3,(H,23,27)
InChIKeyPMHSDJUVJPOFQU-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.60
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 15991435) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID15991435
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-2-29-17-9-7-16(8-10-17)23-20(27)15-30-22-21(26-11-13-28-14-12-26)24-18-5-3-4-6-19(18)25-22/h3-10H,2,11-15H2,1H3,(H,23,27)
InChIKeyPMHSDJUVJPOFQU-UHFFFAOYSA-N
XLogP3.60
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (CID 15991435) is N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is PMHSDJUVJPOFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-2-29-17-9-7-16(8-10-17)23-20(27)15-30-22-21(26-11-13-28-14-12-26)24-18-5-3-4-6-19(18)25-22/h3-10H,2,11-15H2,1H3,(H,23,27).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 424.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 15991435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).