1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C19H14N4O2S3 — CID 664863

IUPAC1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1cccs1
InChIInChI=1S/C19H14N4O2S3/c20-18-17(28(24,25)15-8-4-10-27-15)16-19(23(18)11-12-5-3-9-26-12)22-14-7-2-1-6-13(14)21-16/h1-10H,11,20H2
InChIKeyVPGCSZUTXPNTKT-UHFFFAOYSA-N
MW426.55 g/mol
LogP4.17
Rot. Bonds4

About 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 664863) has the molecular formula C19H14N4O2S3 and a molecular weight of 426.55 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID664863
Molecular FormulaC19H14N4O2S3
Molecular Weight426.55 g/mol
Exact Mass426.03
IUPAC Name1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1cccs1
InChIInChI=1S/C19H14N4O2S3/c20-18-17(28(24,25)15-8-4-10-27-15)16-19(23(18)11-12-5-3-9-26-12)22-14-7-2-1-6-13(14)21-16/h1-10H,11,20H2
InChIKeyVPGCSZUTXPNTKT-UHFFFAOYSA-N
XLogP4.17
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 664863) is 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is VPGCSZUTXPNTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S3/c20-18-17(28(24,25)15-8-4-10-27-15)16-19(23(18)11-12-5-3-9-26-12)22-14-7-2-1-6-13(14)21-16/h1-10H,11,20H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 426.55 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 664863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).