N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide

C21H20N4O3S2 — CID 1399086

IUPACN-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H20N4O3S2/c1-28-16-10-8-15(9-11-16)12-13-22-20-21(24-18-6-3-2-5-17(18)23-20)25-30(26,27)19-7-4-14-29-19/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyZLFSPWVAZSBCJN-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.16
Rot. Bonds8

About N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 1399086) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID1399086
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC NameN-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H20N4O3S2/c1-28-16-10-8-15(9-11-16)12-13-22-20-21(24-18-6-3-2-5-17(18)23-20)25-30(26,27)19-7-4-14-29-19/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyZLFSPWVAZSBCJN-UHFFFAOYSA-N
XLogP4.16
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide (CID 1399086) is N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide is COc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is ZLFSPWVAZSBCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c1-28-16-10-8-15(9-11-16)12-13-22-20-21(24-18-6-3-2-5-17(18)23-20)25-30(26,27)19-7-4-14-29-19/h2-11,14H,12-13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 440.55 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 1399086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).