N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide

C22H24N4O3S — CID 15991441

IUPACN-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C22H24N4O3S/c1-15-7-8-19(28-2)18(13-15)23-20(27)14-30-22-21(26-9-11-29-12-10-26)24-16-5-3-4-6-17(16)25-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyRFQLBDFMRRJASA-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.51
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide

N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 15991441) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID15991441
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C22H24N4O3S/c1-15-7-8-19(28-2)18(13-15)23-20(27)14-30-22-21(26-9-11-29-12-10-26)24-16-5-3-4-6-17(16)25-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyRFQLBDFMRRJASA-UHFFFAOYSA-N
XLogP3.51
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (CID 15991441) is N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is RFQLBDFMRRJASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-7-8-19(28-2)18(13-15)23-20(27)14-30-22-21(26-9-11-29-12-10-26)24-16-5-3-4-6-17(16)25-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 424.53 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 15991441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).