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

C20H19BrN4O2S — CID 22332631

IUPACN-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)Nc1cccc(Br)c1
InChIInChI=1S/C20H19BrN4O2S/c21-14-4-3-5-15(12-14)22-18(26)13-28-20-19(25-8-10-27-11-9-25)23-16-6-1-2-7-17(16)24-20/h1-7,12H,8-11,13H2,(H,22,26)
InChIKeyKOZWJWYGHPNJNV-UHFFFAOYSA-N
MW459.37 g/mol
LogP3.96
Rot. Bonds5

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

N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332631) has the molecular formula C20H19BrN4O2S and a molecular weight of 459.37 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332631
Molecular FormulaC20H19BrN4O2S
Molecular Weight459.37 g/mol
Exact Mass458.04
IUPAC NameN-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)Nc1cccc(Br)c1
InChIInChI=1S/C20H19BrN4O2S/c21-14-4-3-5-15(12-14)22-18(26)13-28-20-19(25-8-10-27-11-9-25)23-16-6-1-2-7-17(16)24-20/h1-7,12H,8-11,13H2,(H,22,26)
InChIKeyKOZWJWYGHPNJNV-UHFFFAOYSA-N
XLogP3.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332631) is N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2nc1N1CCOCC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is KOZWJWYGHPNJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2S/c21-14-4-3-5-15(12-14)22-18(26)13-28-20-19(25-8-10-27-11-9-25)23-16-6-1-2-7-17(16)24-20/h1-7,12H,8-11,13H2,(H,22,26).
What are the key properties of N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 459.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).