3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine

C110H95N17O12S8 — CID 161176734

About 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine

3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine (PubChem CID 161176734) has the molecular formula C110H95N17O12S8 and a molecular weight of 2103.61 g/mol. Its IUPAC name is 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine
• PubChem CID: 161176734
• Molecular Formula: C110H95N17O12S8
• Molecular Weight: 2103.61 g/mol
• Exact Mass: 2101.51
• IUPAC Name: 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine
• SMILES: COc1ccc(OC)c(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4ccc(O)cc4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(C)(=O)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4ccccc4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2ccsc2CC3)c1
• InChI: InChI=1S/C24H22N4O4S2.C24H21N3O3S2.C23H19N3O2S.C23H19N3OS.C16H14N4O2S2/c1-31-16-7-8-20(32-2)18(11-16)22-12-19-21(33-22)9-6-14-13-26-24(28-23(14)19)27-15-4-3-5-17(10-15)34(25,29)30;1-30-18-7-3-5-15(11-18)22-13-20-21(31-22)10-9-16-14-25-24(27-23(16)20)26-17-6-4-8-19(12-17)32(2,28)29;1-28-18-4-2-3-14(11-18)21-12-19-20(29-21)10-5-15-13-24-23(26-22(15)19)25-16-6-8-17(27)9-7-16;1-27-18-9-5-6-15(12-18)21-13-19-20(28-21)11-10-16-14-24-23(26-22(16)19)25-17-7-3-2-4-8-17;17-24(21,22)12-3-1-2-11(8-12)19-16-18-9-10-4-5-14-13(6-7-23-14)15(10)20-16/h3-5,7-8,10-13H,6,9H2,1-2H3,(H2,25,29,30)(H,26,27,28);3-8,11-14H,9-10H2,1-2H3,(H,25,26,27);2-4,6-9,11-13,27H,5,10H2,1H3,(H,24,25,26);2-9,12-14H,10-11H2,1H3,(H,24,25,26);1-3,6-9H,4-5H2,(H2,17,21,22)(H,18,19,20)
• InChIKey: URXJFHRETXBPKA-UHFFFAOYSA-N
• XLogP: 23.35
• TPSA: 409.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2103.61
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine?

The IUPAC name of 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine (CID 161176734) is 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine.

What is the SMILES notation for 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine?

The canonical SMILES for 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine is COc1ccc(OC)c(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4ccc(O)cc4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(C)(=O)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4ccccc4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2ccsc2CC3)c1.

What is the InChIKey of 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine?

The InChIKey is URXJFHRETXBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2.C24H21N3O3S2.C23H19N3O2S.C23H19N3OS.C16H14N4O2S2/c1-31-16-7-8-20(32-2)18(11-16)22-12-19-21(33-22)9-6-14-13-26-24(28-23(14)19)27-15-4-3-5-17(10-15)34(25,29)30;1-30-18-7-3-5-15(11-18)22-13-20-21(31-22)10-9-16-14-25-24(27-23(16)20)26-17-6-4-8-19(12-17)32(2,28)29;1-28-18-4-2-3-14(11-18)21-12-19-20(29-21)10-5-15-13-24-23(26-22(15)19)25-16-6-8-17(27)9-7-16;1-27-18-9-5-6-15(12-18)21-13-19-20(28-21)11-10-16-14-24-23(26-22(16)19)25-17-7-3-2-4-8-17;17-24(21,22)12-3-1-2-11(8-12)19-16-18-9-10-4-5-14-13(6-7-23-14)15(10)20-16/h3-5,7-8,10-13H,6,9H2,1-2H3,(H2,25,29,30)(H,26,27,28);3-8,11-14H,9-10H2,1-2H3,(H,25,26,27);2-4,6-9,11-13,27H,5,10H2,1H3,(H,24,25,26);2-9,12-14H,10-11H2,1H3,(H,24,25,26);1-3,6-9H,4-5H2,(H2,17,21,22)(H,18,19,20).

What are the key properties of 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine?

3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine has a molecular weight of 2103.61 g/mol, XLogP of 23.35, 22 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide;3-[[8-(2,5-dimethoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenol;8-(3-methoxyphenyl)-N-(3-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;8-(3-methoxyphenyl)-N-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine is sourced from PubChem (CID 161176734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).