5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate

C126H136F5N33O19S11 — CID 159747180

About 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate

5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate (PubChem CID 159747180) has the molecular formula C126H136F5N33O19S11 and a molecular weight of 2864.41 g/mol. Its IUPAC name is 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate.

Molecular Properties

• Compound Name: 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate
• PubChem CID: 159747180
• Molecular Formula: C126H136F5N33O19S11
• Molecular Weight: 2864.41 g/mol
• Exact Mass: 2861.75
• IUPAC Name: 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate
• SMILES: COc1ccc(C#CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)CC(C)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN(C)S(=O)(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)cc3)c(N)c2c1C
• InChI: InChI=1S/C20H22N6O2S.C19H18N4O2S.C18H18F2N4O3S2.C18H19FN4O3S2.C18H21N5O3S2.C18H19N5O3S.C15H19F2N5O3S2/c1-10-4-6-13(7-5-10)23-20(28)26-8-14(9-26)22-18(27)17-16(21)15-11(2)12(3)24-25-19(15)29-17;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(24)21-10-4-5-13-6-8-14(25-3)9-7-13;1-9-10(2)23-24-17-13(9)14(21)15(28-17)16(25)22-8-11-4-6-12(7-5-11)29(26,27)18(3,19)20;1-9-10(2)22-23-18-14(9)15(20)16(27-18)17(24)21-8-12-4-6-13(7-5-12)28(25,26)11(3)19;1-11-12(2)21-22-18-14(11)15(19)16(27-18)17(24)20-9-10-23(3)28(25,26)13-7-5-4-6-8-13;1-10-11(2)22-23-17-13(10)14(19)15(27-17)16(24)20-8-9-21-18(25)26-12-6-4-3-5-7-12;1-7-8(2)20-21-14-10(7)11(18)12(26-14)13(23)19-9-4-22(5-9)27(24,25)6-15(3,16)17/h4-7,14H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);6-9H,10,20H2,1-3H3,(H,21,24);4-7H,8,21H2,1-3H3,(H,22,25);4-7,11H,8,20H2,1-3H3,(H,21,24);4-8H,9-10,19H2,1-3H3,(H,20,24);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);9H,4-6,18H2,1-3H3,(H,19,23)
• InChIKey: NDELXLSUXXBBLO-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 789.24 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 47
• Rotatable Bonds: 32
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2864.41
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate?

The IUPAC name of 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate (CID 159747180) is 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate.

What is the SMILES notation for 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate?

The canonical SMILES for 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate is COc1ccc(C#CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)CC(C)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN(C)S(=O)(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate?

The InChIKey is NDELXLSUXXBBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S.C19H18N4O2S.C18H18F2N4O3S2.C18H19FN4O3S2.C18H21N5O3S2.C18H19N5O3S.C15H19F2N5O3S2/c1-10-4-6-13(7-5-10)23-20(28)26-8-14(9-26)22-18(27)17-16(21)15-11(2)12(3)24-25-19(15)29-17;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(24)21-10-4-5-13-6-8-14(25-3)9-7-13;1-9-10(2)23-24-17-13(9)14(21)15(28-17)16(25)22-8-11-4-6-12(7-5-11)29(26,27)18(3,19)20;1-9-10(2)22-23-18-14(9)15(20)16(27-18)17(24)21-8-12-4-6-13(7-5-12)28(25,26)11(3)19;1-11-12(2)21-22-18-14(11)15(19)16(27-18)17(24)20-9-10-23(3)28(25,26)13-7-5-4-6-8-13;1-10-11(2)22-23-17-13(10)14(19)15(27-17)16(24)20-8-9-21-18(25)26-12-6-4-3-5-7-12;1-7-8(2)20-21-14-10(7)11(18)12(26-14)13(23)19-9-4-22(5-9)27(24,25)6-15(3,16)17/h4-7,14H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);6-9H,10,20H2,1-3H3,(H,21,24);4-7H,8,21H2,1-3H3,(H,22,25);4-7,11H,8,20H2,1-3H3,(H,21,24);4-8H,9-10,19H2,1-3H3,(H,20,24);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);9H,4-6,18H2,1-3H3,(H,19,23).

What are the key properties of 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate?

5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate has a molecular weight of 2864.41 g/mol, XLogP of 17.28, 32 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2,2-difluoropropylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[3-(4-methoxyphenyl)prop-2-ynyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 159747180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).