N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline

C21H27N3O3S2 — CID 160772600

IUPACN-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline
SMILESCC(C)NS(=O)(=O)C1CC1.CC(C)Oc1nc2ccccc2nc1-c1cccs1
InChIInChI=1S/C15H14N2OS.C6H13NO2S/c1-10(2)18-15-14(13-8-5-9-19-13)16-11-6-3-4-7-12(11)17-15;1-5(2)7-10(8,9)6-3-4-6/h3-10H,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyRZNARVFZYMNTBX-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.62
Rot. Bonds6

About N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline

N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline (PubChem CID 160772600) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline.

Molecular Properties

Compound NameN-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline
PubChem CID160772600
Molecular FormulaC21H27N3O3S2
Molecular Weight433.60 g/mol
Exact Mass433.15
IUPAC NameN-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline
SMILESCC(C)NS(=O)(=O)C1CC1.CC(C)Oc1nc2ccccc2nc1-c1cccs1
InChIInChI=1S/C15H14N2OS.C6H13NO2S/c1-10(2)18-15-14(13-8-5-9-19-13)16-11-6-3-4-7-12(11)17-15;1-5(2)7-10(8,9)6-3-4-6/h3-10H,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyRZNARVFZYMNTBX-UHFFFAOYSA-N
XLogP4.62
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline?
The IUPAC name of N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline (CID 160772600) is N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline.
What is the SMILES notation for N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline?
The canonical SMILES for N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline is CC(C)NS(=O)(=O)C1CC1.CC(C)Oc1nc2ccccc2nc1-c1cccs1.
What is the InChIKey of N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline?
The InChIKey is RZNARVFZYMNTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS.C6H13NO2S/c1-10(2)18-15-14(13-8-5-9-19-13)16-11-6-3-4-7-12(11)17-15;1-5(2)7-10(8,9)6-3-4-6/h3-10H,1-2H3;5-7H,3-4H2,1-2H3.
What are the key properties of N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline?
N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline has a molecular weight of 433.60 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylcyclopropanesulfonamide;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline is sourced from PubChem (CID 160772600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).