2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide

C20H17N3O4S2 — CID 4543533

IUPAC2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide
SMILESO=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccs1)Nc1ccccc1
InChIInChI=1S/C20H17N3O4S2/c24-18(21-14-7-2-1-3-8-14)13-17-20(25)22-15-9-4-5-10-16(15)23(17)29(26,27)19-11-6-12-28-19/h1-12,17H,13H2,(H,21,24)(H,22,25)
InChIKeyUEUYVBFZPQTWIO-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.29
Rot. Bonds5

About 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide

2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide (PubChem CID 4543533) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide
PubChem CID4543533
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC Name2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide
SMILESO=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccs1)Nc1ccccc1
InChIInChI=1S/C20H17N3O4S2/c24-18(21-14-7-2-1-3-8-14)13-17-20(25)22-15-9-4-5-10-16(15)23(17)29(26,27)19-11-6-12-28-19/h1-12,17H,13H2,(H,21,24)(H,22,25)
InChIKeyUEUYVBFZPQTWIO-UHFFFAOYSA-N
XLogP3.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide (CID 4543533) is 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide is O=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccs1)Nc1ccccc1.
What is the InChIKey of 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide?
The InChIKey is UEUYVBFZPQTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c24-18(21-14-7-2-1-3-8-14)13-17-20(25)22-15-9-4-5-10-16(15)23(17)29(26,27)19-11-6-12-28-19/h1-12,17H,13H2,(H,21,24)(H,22,25).
What are the key properties of 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide?
2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide has a molecular weight of 427.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide is sourced from PubChem (CID 4543533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).