3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

C112H95F3N20O15S10 — CID 158644813

IUPAC3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCOc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)C4CC4)nc2-3)c1.CS(=O)(=O)Nc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4CO)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4O)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4OC(F)(F)F)sc2CC3)c1
InChIInChI=1S/C23H17F3N4O3S2.C23H21N5O4S3.C23H20N4O3S2.C22H18N4O3S2.C21H19N3O2S/c24-23(25,26)33-18-7-2-1-6-16(18)20-11-17-19(34-20)9-8-13-12-28-22(30-21(13)17)29-14-4-3-5-15(10-14)35(27,31)32;1-34(29,30)28-17-6-2-4-14(10-17)21-12-19-20(33-21)9-8-15-13-25-23(27-22(15)19)26-16-5-3-7-18(11-16)35(24,31)32;24-32(29,30)17-6-3-5-16(10-17)26-23-25-12-14-8-9-20-19(22(14)27-23)11-21(31-20)18-7-2-1-4-15(18)13-28;23-31(28,29)15-5-3-4-14(10-15)25-22-24-12-13-8-9-19-17(21(13)26-22)11-20(30-19)16-6-1-2-7-18(16)27;1-26-15-4-2-3-13(9-15)18-10-16-17(27-18)8-7-14-11-22-21(23-19(14)16)24-20(25)12-5-6-12/h1-7,10-12H,8-9H2,(H2,27,31,32)(H,28,29,30);2-7,10-13,28H,8-9H2,1H3,(H2,24,31,32)(H,25,26,27);1-7,10-12,28H,8-9,13H2,(H2,24,29,30)(H,25,26,27);1-7,10-12,27H,8-9H2,(H2,23,28,29)(H,24,25,26);2-4,9-12H,5-8H2,1H3,(H,22,23,24,25)
InChIKeyIAVHLQGFVPWNGM-UHFFFAOYSA-N
MW2338.78 g/mol
LogP21.24
Rot. Bonds24

About 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 158644813) has the molecular formula C112H95F3N20O15S10 and a molecular weight of 2338.78 g/mol. Its IUPAC name is 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID158644813
Molecular FormulaC112H95F3N20O15S10
Molecular Weight2338.78 g/mol
Exact Mass2336.44
IUPAC Name3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCOc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)C4CC4)nc2-3)c1.CS(=O)(=O)Nc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4CO)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4O)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4OC(F)(F)F)sc2CC3)c1
InChIInChI=1S/C23H17F3N4O3S2.C23H21N5O4S3.C23H20N4O3S2.C22H18N4O3S2.C21H19N3O2S/c24-23(25,26)33-18-7-2-1-6-16(18)20-11-17-19(34-20)9-8-13-12-28-22(30-21(13)17)29-14-4-3-5-15(10-14)35(27,31)32;1-34(29,30)28-17-6-2-4-14(10-17)21-12-19-20(33-21)9-8-15-13-25-23(27-22(15)19)26-16-5-3-7-18(11-16)35(24,31)32;24-32(29,30)17-6-3-5-16(10-17)26-23-25-12-14-8-9-20-19(22(14)27-23)11-21(31-20)18-7-2-1-4-15(18)13-28;23-31(28,29)15-5-3-4-14(10-15)25-22-24-12-13-8-9-19-17(21(13)26-22)11-20(30-19)16-6-1-2-7-18(16)27;1-26-15-4-2-3-13(9-15)18-10-16-17(27-18)8-7-14-11-22-21(23-19(14)16)24-20(25)12-5-6-12/h1-7,10-12H,8-9H2,(H2,27,31,32)(H,28,29,30);2-7,10-13,28H,8-9H2,1H3,(H2,24,31,32)(H,25,26,27);1-7,10-12,28H,8-9,13H2,(H2,24,29,30)(H,25,26,27);1-7,10-12,27H,8-9H2,(H2,23,28,29)(H,24,25,26);2-4,9-12H,5-8H2,1H3,(H,22,23,24,25)
InChIKeyIAVHLQGFVPWNGM-UHFFFAOYSA-N
XLogP21.24
TPSA551.85 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002338.78
LogP ≤ 521.24
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (CID 158644813) is 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)C4CC4)nc2-3)c1.CS(=O)(=O)Nc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4CO)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4O)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4OC(F)(F)F)sc2CC3)c1.
What is the InChIKey of 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is IAVHLQGFVPWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S2.C23H21N5O4S3.C23H20N4O3S2.C22H18N4O3S2.C21H19N3O2S/c24-23(25,26)33-18-7-2-1-6-16(18)20-11-17-19(34-20)9-8-13-12-28-22(30-21(13)17)29-14-4-3-5-15(10-14)35(27,31)32;1-34(29,30)28-17-6-2-4-14(10-17)21-12-19-20(33-21)9-8-15-13-25-23(27-22(15)19)26-16-5-3-7-18(11-16)35(24,31)32;24-32(29,30)17-6-3-5-16(10-17)26-23-25-12-14-8-9-20-19(22(14)27-23)11-21(31-20)18-7-2-1-4-15(18)13-28;23-31(28,29)15-5-3-4-14(10-15)25-22-24-12-13-8-9-19-17(21(13)26-22)11-20(30-19)16-6-1-2-7-18(16)27;1-26-15-4-2-3-13(9-15)18-10-16-17(27-18)8-7-14-11-22-21(23-19(14)16)24-20(25)12-5-6-12/h1-7,10-12H,8-9H2,(H2,27,31,32)(H,28,29,30);2-7,10-13,28H,8-9H2,1H3,(H2,24,31,32)(H,25,26,27);1-7,10-12,28H,8-9,13H2,(H2,24,29,30)(H,25,26,27);1-7,10-12,27H,8-9H2,(H2,23,28,29)(H,24,25,26);2-4,9-12H,5-8H2,1H3,(H,22,23,24,25).
What are the key properties of 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 2338.78 g/mol, XLogP of 21.24, 24 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158644813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).