N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone

C134H121N25O22S12 — CID 157292780

About N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone

N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone (PubChem CID 157292780) has the molecular formula C134H121N25O22S12 and a molecular weight of 2818.40 g/mol. Its IUPAC name is N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 157292780
• Molecular Formula: C134H121N25O22S12
• Molecular Weight: 2818.40 g/mol
• Exact Mass: 2815.58
• IUPAC Name: N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone
• SMILES: COCCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCCC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNC(=O)C5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5(CO)CCCC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCCO)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCc5ccccc5)cc4c3n2)c1
• InChI: InChI=1S/C25H20N4O3S2.C24H24N4O4S2.C22H19N5O4S2.C22H20N4O3S2.C21H20N4O4S2.C20H18N4O4S2/c1-34(31,32)19-9-5-8-18(12-19)28-25-27-15-17-10-11-21-20(23(17)29-25)13-22(33-21)24(30)26-14-16-6-3-2-4-7-16;1-34(31,32)17-6-4-5-16(11-17)26-23-25-13-15-7-8-19-18(21(15)27-23)12-20(33-19)22(30)28-24(14-29)9-2-3-10-24;1-33(30,31)15-4-2-3-14(9-15)25-22-24-11-13-5-6-17-16(20(13)26-22)10-18(32-17)21(29)27-8-7-23-19(28)12-27;1-31(28,29)16-6-4-5-15(11-16)24-22-23-13-14-7-8-18-17(20(14)25-22)12-19(30-18)21(27)26-9-2-3-10-26;1-29-9-8-22-20(26)18-11-16-17(30-18)7-6-13-12-23-21(25-19(13)16)24-14-4-3-5-15(10-14)31(2,27)28;1-30(27,28)14-4-2-3-13(9-14)23-20-22-11-12-5-6-16-15(18(12)24-20)10-17(29-16)19(26)21-7-8-25/h2-13,15H,14H2,1H3,(H,26,30)(H,27,28,29);4-8,11-13,29H,2-3,9-10,14H2,1H3,(H,28,30)(H,25,26,27);2-6,9-11H,7-8,12H2,1H3,(H,23,28)(H,24,25,26);4-8,11-13H,2-3,9-10H2,1H3,(H,23,24,25);3-7,10-12H,8-9H2,1-2H3,(H,22,26)(H,23,24,25);2-6,9-11,25H,7-8H2,1H3,(H,21,26)(H,22,23,24)
• InChIKey: BAZMYIKWBAOFLG-UHFFFAOYSA-N
• XLogP: 21.82
• TPSA: 667.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2818.40
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone (CID 157292780) is N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone is COCCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCCC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNC(=O)C5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5(CO)CCCC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCCO)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCc5ccccc5)cc4c3n2)c1.

What is the InChIKey of N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is BAZMYIKWBAOFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S2.C24H24N4O4S2.C22H19N5O4S2.C22H20N4O3S2.C21H20N4O4S2.C20H18N4O4S2/c1-34(31,32)19-9-5-8-18(12-19)28-25-27-15-17-10-11-21-20(23(17)29-25)13-22(33-21)24(30)26-14-16-6-3-2-4-7-16;1-34(31,32)17-6-4-5-16(11-17)26-23-25-13-15-7-8-19-18(21(15)27-23)12-20(33-19)22(30)28-24(14-29)9-2-3-10-24;1-33(30,31)15-4-2-3-14(9-15)25-22-24-11-13-5-6-17-16(20(13)26-22)10-18(32-17)21(29)27-8-7-23-19(28)12-27;1-31(28,29)16-6-4-5-15(11-16)24-22-23-13-14-7-8-18-17(20(14)25-22)12-19(30-18)21(27)26-9-2-3-10-26;1-29-9-8-22-20(26)18-11-16-17(30-18)7-6-13-12-23-21(25-19(13)16)24-14-4-3-5-15(10-14)31(2,27)28;1-30(27,28)14-4-2-3-13(9-14)23-20-22-11-12-5-6-16-15(18(12)24-20)10-17(29-16)19(26)21-7-8-25/h2-13,15H,14H2,1H3,(H,26,30)(H,27,28,29);4-8,11-13,29H,2-3,9-10,14H2,1H3,(H,28,30)(H,25,26,27);2-6,9-11H,7-8,12H2,1H3,(H,23,28)(H,24,25,26);4-8,11-13H,2-3,9-10H2,1H3,(H,23,24,25);3-7,10-12H,8-9H2,1-2H3,(H,22,26)(H,23,24,25);2-6,9-11,25H,7-8H2,1H3,(H,21,26)(H,22,23,24).

What are the key properties of N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone?

N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 2818.40 g/mol, XLogP of 21.82, 33 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-hydroxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-(2-methoxyethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide;4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-2-one;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 157292780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).