3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

C22H22N6O3S2 — CID 59262643

IUPAC3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESNC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1
InChIInChI=1S/C22H22N6O3S2/c23-14-6-8-28(9-7-14)21(29)19-11-17-18(32-19)5-4-13-12-25-22(27-20(13)17)26-15-2-1-3-16(10-15)33(24,30)31/h1-5,10-12,14H,6-9,23H2,(H2,24,30,31)(H,25,26,27)
InChIKeyUEORKIZYKGPICS-UHFFFAOYSA-N
MW482.59 g/mol
LogP2.80
Rot. Bonds4

About 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 59262643) has the molecular formula C22H22N6O3S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID59262643
Molecular FormulaC22H22N6O3S2
Molecular Weight482.59 g/mol
Exact Mass482.12
IUPAC Name3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESNC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1
InChIInChI=1S/C22H22N6O3S2/c23-14-6-8-28(9-7-14)21(29)19-11-17-18(32-19)5-4-13-12-25-22(27-20(13)17)26-15-2-1-3-16(10-15)33(24,30)31/h1-5,10-12,14H,6-9,23H2,(H2,24,30,31)(H,25,26,27)
InChIKeyUEORKIZYKGPICS-UHFFFAOYSA-N
XLogP2.80
TPSA144.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (CID 59262643) is 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.
What is the InChIKey of 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is UEORKIZYKGPICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S2/c23-14-6-8-28(9-7-14)21(29)19-11-17-18(32-19)5-4-13-12-25-22(27-20(13)17)26-15-2-1-3-16(10-15)33(24,30)31/h1-5,10-12,14H,6-9,23H2,(H2,24,30,31)(H,25,26,27).
What are the key properties of 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 482.59 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(4-aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 59262643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).