3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide

C91H88N22O13S6 — CID 159023213

About 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide

3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide (PubChem CID 159023213) has the molecular formula C91H88N22O13S6 and a molecular weight of 1890.25 g/mol. Its IUPAC name is 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide.

Molecular Properties

• Compound Name: 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide
• PubChem CID: 159023213
• Molecular Formula: C91H88N22O13S6
• Molecular Weight: 1890.25 g/mol
• Exact Mass: 1888.52
• IUPAC Name: 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide
• SMILES: CC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cc(C)cc(C)c5)nc43)s2)CC1.CC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCN(C(C)=O)CC5)cc4c3n2)c1.CN(C)C(=O)c1cc2c(s1)COc1cnc(Nc3cccc(S(N)(=O)=O)c3)nc1-2
• InChI: InChI=1S/C25H24N6O3S.C25H25N5O2S.C23H22N6O4S2.C18H17N5O4S2/c1-15(32)27-18-4-3-5-19(12-18)28-25-26-14-17-6-7-21-20(23(17)29-25)13-22(35-21)24(34)31-10-8-30(9-11-31)16(2)33;1-15-10-16(2)12-19(11-15)27-25-26-14-18-4-5-21-20(23(18)28-25)13-22(33-21)24(32)30-8-6-29(7-9-30)17(3)31;1-14(30)28-7-9-29(10-8-28)22(31)20-12-18-19(34-20)6-5-15-13-25-23(27-21(15)18)26-16-3-2-4-17(11-16)35(24,32)33;1-23(2)17(24)14-7-12-15(28-14)9-27-13-8-20-18(22-16(12)13)21-10-4-3-5-11(6-10)29(19,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,32)(H,26,28,29);4-5,10-14H,6-9H2,1-3H3,(H,26,27,28);2-6,11-13H,7-10H2,1H3,(H2,24,32,33)(H,25,26,27);3-8H,9H2,1-2H3,(H2,19,25,26)(H,20,21,22)
• InChIKey: JTYQDERSRAKELJ-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 452.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.25
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide?

The IUPAC name of 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide (CID 159023213) is 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide.

What is the SMILES notation for 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide?

The canonical SMILES for 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide is CC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cc(C)cc(C)c5)nc43)s2)CC1.CC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCN(C(C)=O)CC5)cc4c3n2)c1.CN(C)C(=O)c1cc2c(s1)COc1cnc(Nc3cccc(S(N)(=O)=O)c3)nc1-2.

What is the InChIKey of 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide?

The InChIKey is JTYQDERSRAKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S.C25H25N5O2S.C23H22N6O4S2.C18H17N5O4S2/c1-15(32)27-18-4-3-5-19(12-18)28-25-26-14-17-6-7-21-20(23(17)29-25)13-22(35-21)24(34)31-10-8-30(9-11-31)16(2)33;1-15-10-16(2)12-19(11-15)27-25-26-14-18-4-5-21-20(23(18)28-25)13-22(33-21)24(32)30-8-6-29(7-9-30)17(3)31;1-14(30)28-7-9-29(10-8-28)22(31)20-12-18-19(34-20)6-5-15-13-25-23(27-21(15)18)26-16-3-2-4-17(11-16)35(24,32)33;1-23(2)17(24)14-7-12-15(28-14)9-27-13-8-20-18(22-16(12)13)21-10-4-3-5-11(6-10)29(19,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,32)(H,26,28,29);4-5,10-14H,6-9H2,1-3H3,(H,26,27,28);2-6,11-13H,7-10H2,1H3,(H2,24,32,33)(H,25,26,27);3-8H,9H2,1-2H3,(H2,19,25,26)(H,20,21,22).

What are the key properties of 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide?

3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide has a molecular weight of 1890.25 g/mol, XLogP of 13.09, 15 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide is sourced from PubChem (CID 159023213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).