5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate

C120H146N30O15S7 — CID 158706446

About 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate

5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate (PubChem CID 158706446) has the molecular formula C120H146N30O15S7 and a molecular weight of 2473.15 g/mol. Its IUPAC name is 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate
• PubChem CID: 158706446
• Molecular Formula: C120H146N30O15S7
• Molecular Weight: 2473.15 g/mol
• Exact Mass: 2470.96
• IUPAC Name: 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate
• SMILES: Cc1cccc(C(=O)NCCN(C)C(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)C3CCCCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)S(=O)(=O)c3ccccc3)c(N)c2c1C
• InChI: InChI=1S/C21H25N5O3S.C20H23N5O3S.C20H23N5O2S.C20H29N5O2S.C20H23N5O2S.C19H23N5O3S2/c1-13-14(2)23-24-19-16(13)17(22)18(30-19)20(27)25(3)10-11-26(4)21(28)29-12-15-8-6-5-7-9-15;1-12-13(2)22-23-18-15(12)16(21)17(29-18)19(26)24(3)10-11-25(4)20(27)28-14-8-6-5-7-9-14;1-11-6-5-7-14(10-11)18(26)22-8-9-25(4)20(27)17-16(21)15-12(2)13(3)23-24-19(15)28-17;2*1-12-13(2)22-23-18-15(12)16(21)17(28-18)20(27)25(4)11-10-24(3)19(26)14-8-6-5-7-9-14;1-12-13(2)21-22-18-15(12)16(20)17(28-18)19(25)23(3)10-11-24(4)29(26,27)14-8-6-5-7-9-14/h5-9H,10-12,22H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-7,10H,8-9,21H2,1-4H3,(H,22,26);14H,5-11,21H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-9H,10-11,20H2,1-4H3
• InChIKey: IIEBJTWRBXYFGD-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 598.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.15
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate?

The IUPAC name of 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate (CID 158706446) is 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate.

What is the SMILES notation for 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate?

The canonical SMILES for 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate is Cc1cccc(C(=O)NCCN(C)C(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)C3CCCCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)S(=O)(=O)c3ccccc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate?

The InChIKey is IIEBJTWRBXYFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S.C20H23N5O3S.C20H23N5O2S.C20H29N5O2S.C20H23N5O2S.C19H23N5O3S2/c1-13-14(2)23-24-19-16(13)17(22)18(30-19)20(27)25(3)10-11-26(4)21(28)29-12-15-8-6-5-7-9-15;1-12-13(2)22-23-18-15(12)16(21)17(29-18)19(26)24(3)10-11-25(4)20(27)28-14-8-6-5-7-9-14;1-11-6-5-7-14(10-11)18(26)22-8-9-25(4)20(27)17-16(21)15-12(2)13(3)23-24-19(15)28-17;2*1-12-13(2)22-23-18-15(12)16(21)17(28-18)20(27)25(4)11-10-24(3)19(26)14-8-6-5-7-9-14;1-12-13(2)21-22-18-15(12)16(20)17(28-18)19(25)23(3)10-11-24(4)29(26,27)14-8-6-5-7-9-14/h5-9H,10-12,22H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-7,10H,8-9,21H2,1-4H3,(H,22,26);14H,5-11,21H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-9H,10-11,20H2,1-4H3.

What are the key properties of 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate?

5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 2473.15 g/mol, XLogP of 17.04, 32 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[cyclohexanecarbonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N,3,4-trimethyl-N-[2-[(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 158706446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).