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

C17H20N4O2S2 — CID 1387370

IUPACN-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N4O2S2/c1-12(2)9-10-18-16-17(20-14-7-4-3-6-13(14)19-16)21-25(22,23)15-8-5-11-24-15/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUYCRIDSVZOEZHQ-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.95
Rot. Bonds7

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

N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 1387370) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID1387370
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC NameN-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N4O2S2/c1-12(2)9-10-18-16-17(20-14-7-4-3-6-13(14)19-16)21-25(22,23)15-8-5-11-24-15/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUYCRIDSVZOEZHQ-UHFFFAOYSA-N
XLogP3.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 1387370) is N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is CC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is UYCRIDSVZOEZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-12(2)9-10-18-16-17(20-14-7-4-3-6-13(14)19-16)21-25(22,23)15-8-5-11-24-15/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 376.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 1387370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).