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

C24H28N4O2S — CID 15991436

IUPACN-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O2S/c1-2-3-6-18-9-11-19(12-10-18)25-22(29)17-31-24-23(28-13-15-30-16-14-28)26-20-7-4-5-8-21(20)27-24/h4-5,7-12H,2-3,6,13-17H2,1H3,(H,25,29)
InChIKeyRHCINXONPOSNOD-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.54
Rot. Bonds8

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

N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 15991436) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID15991436
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O2S/c1-2-3-6-18-9-11-19(12-10-18)25-22(29)17-31-24-23(28-13-15-30-16-14-28)26-20-7-4-5-8-21(20)27-24/h4-5,7-12H,2-3,6,13-17H2,1H3,(H,25,29)
InChIKeyRHCINXONPOSNOD-UHFFFAOYSA-N
XLogP4.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (CID 15991436) is N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is CCCCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is RHCINXONPOSNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-2-3-6-18-9-11-19(12-10-18)25-22(29)17-31-24-23(28-13-15-30-16-14-28)26-20-7-4-5-8-21(20)27-24/h4-5,7-12H,2-3,6,13-17H2,1H3,(H,25,29).
What are the key properties of N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 436.58 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 15991436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).