N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide

C113H110N20O20S10 — CID 158961236

IUPACN-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide
SMILESCN(CCO)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.COC[C@H](C)NC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(O)CC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCC(O)CC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCOCC5)cc4c3n2)c1
InChIInChI=1S/C24H24N4O4S2.2C23H22N4O4S2.C22H22N4O4S2.C21H20N4O4S2/c1-34(31,32)18-4-2-3-16(11-18)27-24-25-13-14-5-10-20-19(22(14)28-24)12-21(33-20)23(30)26-15-6-8-17(29)9-7-15;1-33(29,30)17-4-2-3-16(11-17)26-23-24-13-14-5-6-19-18(21(14)27-23)12-20(32-19)22(28)25-15-7-9-31-10-8-15;1-33(30,31)17-4-2-3-15(11-17)25-23-24-13-14-5-6-19-18(21(14)26-23)12-20(32-19)22(29)27-9-7-16(28)8-10-27;1-13(12-30-2)24-21(27)19-10-17-18(31-19)8-7-14-11-23-22(26-20(14)17)25-15-5-4-6-16(9-15)32(3,28)29;1-25(8-9-26)20(27)18-11-16-17(30-18)7-6-13-12-22-21(24-19(13)16)23-14-4-3-5-15(10-14)31(2,28)29/h2-5,10-13,15,17,29H,6-9H2,1H3,(H,26,30)(H,25,27,28);2-6,11-13,15H,7-10H2,1H3,(H,25,28)(H,24,26,27);2-6,11-13,16,28H,7-10H2,1H3,(H,24,25,26);4-11,13H,12H2,1-3H3,(H,24,27)(H,23,25,26);3-7,10-12,26H,8-9H2,1-2H3,(H,22,23,24)/t;;;13-;/m...0./s1
InChIKeyJMQNZRVANIUPFL-RZRSHRQTSA-N
MW2388.91 g/mol
LogP18.33
Rot. Bonds27

About N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide

N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide (PubChem CID 158961236) has the molecular formula C113H110N20O20S10 and a molecular weight of 2388.91 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide
PubChem CID158961236
Molecular FormulaC113H110N20O20S10
Molecular Weight2388.91 g/mol
Exact Mass2386.54
IUPAC NameN-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide
SMILESCN(CCO)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.COC[C@H](C)NC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(O)CC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCC(O)CC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCOCC5)cc4c3n2)c1
InChIInChI=1S/C24H24N4O4S2.2C23H22N4O4S2.C22H22N4O4S2.C21H20N4O4S2/c1-34(31,32)18-4-2-3-16(11-18)27-24-25-13-14-5-10-20-19(22(14)28-24)12-21(33-20)23(30)26-15-6-8-17(29)9-7-15;1-33(29,30)17-4-2-3-16(11-17)26-23-24-13-14-5-6-19-18(21(14)27-23)12-20(32-19)22(28)25-15-7-9-31-10-8-15;1-33(30,31)17-4-2-3-15(11-17)25-23-24-13-14-5-6-19-18(21(14)26-23)12-20(32-19)22(29)27-9-7-16(28)8-10-27;1-13(12-30-2)24-21(27)19-10-17-18(31-19)8-7-14-11-23-22(26-20(14)17)25-15-5-4-6-16(9-15)32(3,28)29;1-25(8-9-26)20(27)18-11-16-17(30-18)7-6-13-12-22-21(24-19(13)16)23-14-4-3-5-15(10-14)31(2,28)29/h2-5,10-13,15,17,29H,6-9H2,1H3,(H,26,30)(H,25,27,28);2-6,11-13,15H,7-10H2,1H3,(H,25,28)(H,24,26,27);2-6,11-13,16,28H,7-10H2,1H3,(H,24,25,26);4-11,13H,12H2,1-3H3,(H,24,27)(H,23,25,26);3-7,10-12,26H,8-9H2,1-2H3,(H,22,23,24)/t;;;13-;/m...0./s1
InChIKeyJMQNZRVANIUPFL-RZRSHRQTSA-N
XLogP18.33
TPSA566.82 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002388.91
LogP ≤ 518.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Analyze N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide (CID 158961236) is N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide is CN(CCO)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.COC[C@H](C)NC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(O)CC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCC(O)CC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCOCC5)cc4c3n2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide?
The InChIKey is JMQNZRVANIUPFL-RZRSHRQTSA-N. The full InChI is InChI=1S/C24H24N4O4S2.2C23H22N4O4S2.C22H22N4O4S2.C21H20N4O4S2/c1-34(31,32)18-4-2-3-16(11-18)27-24-25-13-14-5-10-20-19(22(14)28-24)12-21(33-20)23(30)26-15-6-8-17(29)9-7-15;1-33(29,30)17-4-2-3-16(11-17)26-23-24-13-14-5-6-19-18(21(14)27-23)12-20(32-19)22(28)25-15-7-9-31-10-8-15;1-33(30,31)17-4-2-3-15(11-17)25-23-24-13-14-5-6-19-18(21(14)26-23)12-20(32-19)22(29)27-9-7-16(28)8-10-27;1-13(12-30-2)24-21(27)19-10-17-18(31-19)8-7-14-11-23-22(26-20(14)17)25-15-5-4-6-16(9-15)32(3,28)29;1-25(8-9-26)20(27)18-11-16-17(30-18)7-6-13-12-22-21(24-19(13)16)23-14-4-3-5-15(10-14)31(2,28)29/h2-5,10-13,15,17,29H,6-9H2,1H3,(H,26,30)(H,25,27,28);2-6,11-13,15H,7-10H2,1H3,(H,25,28)(H,24,26,27);2-6,11-13,16,28H,7-10H2,1H3,(H,24,25,26);4-11,13H,12H2,1-3H3,(H,24,27)(H,23,25,26);3-7,10-12,26H,8-9H2,1-2H3,(H,22,23,24)/t;;;13-;/m...0./s1.
What are the key properties of N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide?
N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide has a molecular weight of 2388.91 g/mol, XLogP of 18.33, 27 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-N-methyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;N-[(2S)-1-methoxypropan-2-yl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(oxan-4-yl)thieno[2,3-h]quinazoline-8-carboxamide is sourced from PubChem (CID 158961236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).