3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide

C109H89N21O13S11 — CID 160533011

About 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide

3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide (PubChem CID 160533011) has the molecular formula C109H89N21O13S11 and a molecular weight of 2253.78 g/mol. Its IUPAC name is 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
• PubChem CID: 160533011
• Molecular Formula: C109H89N21O13S11
• Molecular Weight: 2253.78 g/mol
• Exact Mass: 2251.39
• IUPAC Name: 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
• SMILES: COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(C(=O)O)c4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccnc4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccsc4)sc2CC3)c1
• InChI: InChI=1S/C23H18N4O4S2.C23H20N4O3S2.C22H18N4O2S2.C21H17N5O2S2.C20H16N4O2S3/c24-33(30,31)17-6-2-5-16(10-17)26-23-25-12-15-7-8-19-18(21(15)27-23)11-20(32-19)13-3-1-4-14(9-13)22(28)29;1-30-17-6-2-4-14(10-17)21-12-19-20(31-21)9-8-15-13-25-23(27-22(15)19)26-16-5-3-7-18(11-16)32(24,28)29;23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14;22-30(27,28)16-5-1-4-15(9-16)25-21-24-12-14-6-7-18-17(20(14)26-21)10-19(29-18)13-3-2-8-23-11-13;21-29(25,26)15-3-1-2-14(8-15)23-20-22-10-12-4-5-17-16(19(12)24-20)9-18(28-17)13-6-7-27-11-13/h1-6,9-12H,7-8H2,(H,28,29)(H2,24,30,31)(H,25,26,27);2-7,10-13H,8-9H2,1H3,(H2,24,28,29)(H,25,26,27);1-8,11-13H,9-10H2,(H2,23,27,28)(H,24,25,26);1-5,8-12H,6-7H2,(H2,22,27,28)(H,24,25,26);1-3,6-11H,4-5H2,(H2,21,25,26)(H,22,23,24)
• InChIKey: QVUIUPDHVLSBQR-UHFFFAOYSA-N
• XLogP: 20.97
• TPSA: 549.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.78
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide?

The IUPAC name of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide (CID 160533011) is 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide.

What is the SMILES notation for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide?

The canonical SMILES for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide is COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(C(=O)O)c4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccnc4)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccsc4)sc2CC3)c1.

What is the InChIKey of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide?

The InChIKey is QVUIUPDHVLSBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S2.C23H20N4O3S2.C22H18N4O2S2.C21H17N5O2S2.C20H16N4O2S3/c24-33(30,31)17-6-2-5-16(10-17)26-23-25-12-15-7-8-19-18(21(15)27-23)11-20(32-19)13-3-1-4-14(9-13)22(28)29;1-30-17-6-2-4-14(10-17)21-12-19-20(31-21)9-8-15-13-25-23(27-22(15)19)26-16-5-3-7-18(11-16)32(24,28)29;23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14;22-30(27,28)16-5-1-4-15(9-16)25-21-24-12-14-6-7-18-17(20(14)26-21)10-19(29-18)13-3-2-8-23-11-13;21-29(25,26)15-3-1-2-14(8-15)23-20-22-10-12-4-5-17-16(19(12)24-20)9-18(28-17)13-6-7-27-11-13/h1-6,9-12H,7-8H2,(H,28,29)(H2,24,30,31)(H,25,26,27);2-7,10-13H,8-9H2,1H3,(H2,24,28,29)(H,25,26,27);1-8,11-13H,9-10H2,(H2,23,27,28)(H,24,25,26);1-5,8-12H,6-7H2,(H2,22,27,28)(H,24,25,26);1-3,6-11H,4-5H2,(H2,21,25,26)(H,22,23,24).

What are the key properties of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide?

3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide has a molecular weight of 2253.78 g/mol, XLogP of 20.97, 22 rotatable bonds, 11 hydrogen bond donors, and 34 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]benzenesulfonamide;3-[(8-phenyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide;3-[2-(3-sulfamoylanilino)-5,6-dihydrothieno[2,3-h]quinazolin-8-yl]benzoic acid;3-[(8-thiophen-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 160533011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).