N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

C17H20N4O2S2 — CID 2020356

IUPACN-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N4O2S2/c1-2-3-6-11-18-16-17(20-14-9-5-4-8-13(14)19-16)21-25(22,23)15-10-7-12-24-15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyVLIGMCOUEHGUDA-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.09
Rot. Bonds8

About N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2020356) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2020356
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC NameN-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N4O2S2/c1-2-3-6-11-18-16-17(20-14-9-5-4-8-13(14)19-16)21-25(22,23)15-10-7-12-24-15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyVLIGMCOUEHGUDA-UHFFFAOYSA-N
XLogP4.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2020356) is N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is CCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is VLIGMCOUEHGUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-2-3-6-11-18-16-17(20-14-9-5-4-8-13(14)19-16)21-25(22,23)15-10-7-12-24-15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 376.51 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2020356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).