3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

C22H21N5O3S2 — CID 59262679

IUPAC3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCCCC5)cc4c3n2)c1
InChIInChI=1S/C22H21N5O3S2/c23-32(29,30)16-6-4-5-15(11-16)25-22-24-13-14-7-8-18-17(20(14)26-22)12-19(31-18)21(28)27-9-2-1-3-10-27/h4-8,11-13H,1-3,9-10H2,(H2,23,29,30)(H,24,25,26)
InChIKeyPBJHCSSJYNOFFI-UHFFFAOYSA-N
MW467.58 g/mol
LogP3.86
Rot. Bonds4

About 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 59262679) has the molecular formula C22H21N5O3S2 and a molecular weight of 467.58 g/mol. Its IUPAC name is 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID59262679
Molecular FormulaC22H21N5O3S2
Molecular Weight467.58 g/mol
Exact Mass467.11
IUPAC Name3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCCCC5)cc4c3n2)c1
InChIInChI=1S/C22H21N5O3S2/c23-32(29,30)16-6-4-5-15(11-16)25-22-24-13-14-7-8-18-17(20(14)26-22)12-19(31-18)21(28)27-9-2-1-3-10-27/h4-8,11-13H,1-3,9-10H2,(H2,23,29,30)(H,24,25,26)
InChIKeyPBJHCSSJYNOFFI-UHFFFAOYSA-N
XLogP3.86
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (CID 59262679) is 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCCCC5)cc4c3n2)c1.
What is the InChIKey of 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is PBJHCSSJYNOFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S2/c23-32(29,30)16-6-4-5-15(11-16)25-22-24-13-14-7-8-18-17(20(14)26-22)12-19(31-18)21(28)27-9-2-1-3-10-27/h4-8,11-13H,1-3,9-10H2,(H2,23,29,30)(H,24,25,26).
What are the key properties of 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 467.58 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 59262679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).