3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide

C24H22N4O3S2 — CID 59262887

IUPAC3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(OC)c4)sc2CC3)c1
InChIInChI=1S/C24H22N4O3S2/c1-25-33(29,30)19-8-4-6-17(12-19)27-24-26-14-16-9-10-21-20(23(16)28-24)13-22(32-21)15-5-3-7-18(11-15)31-2/h3-8,11-14,25H,9-10H2,1-2H3,(H,26,27,28)
InChIKeyHHDGHYNKVDJPDE-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.63
Rot. Bonds6

About 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide

3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 59262887) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide
PubChem CID59262887
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(OC)c4)sc2CC3)c1
InChIInChI=1S/C24H22N4O3S2/c1-25-33(29,30)19-8-4-6-17(12-19)27-24-26-14-16-9-10-21-20(23(16)28-24)13-22(32-21)15-5-3-7-18(11-15)31-2/h3-8,11-14,25H,9-10H2,1-2H3,(H,26,27,28)
InChIKeyHHDGHYNKVDJPDE-UHFFFAOYSA-N
XLogP4.63
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide 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-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide (CID 59262887) is 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(OC)c4)sc2CC3)c1.
What is the InChIKey of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is HHDGHYNKVDJPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c1-25-33(29,30)19-8-4-6-17(12-19)27-24-26-14-16-9-10-21-20(23(16)28-24)13-22(32-21)15-5-3-7-18(11-15)31-2/h3-8,11-14,25H,9-10H2,1-2H3,(H,26,27,28).
What are the key properties of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide?
3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 478.60 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 59262887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).