5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate

C98H119N25O12S6 — CID 158307783

About 5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate

5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate (PubChem CID 158307783) has the molecular formula C98H119N25O12S6 and a molecular weight of 2031.59 g/mol. Its IUPAC name is 5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: 5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate
• PubChem CID: 158307783
• Molecular Formula: C98H119N25O12S6
• Molecular Weight: 2031.59 g/mol
• Exact Mass: 2029.78
• IUPAC Name: 5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate
• SMILES: Cc1cccc(C(=O)N(C)CCN(C)C(=O)c2sc3nnc(C)c(C)c3c2N)c1.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)CCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNS(=O)(=O)c3ccccc3)c(N)c2c1C
• InChI: InChI=1S/C21H25N5O2S.C20H23N5O2S.C20H29N5O2S.C19H21N5O3S.C18H21N5O3S2/c1-12-7-6-8-15(11-12)20(27)25(4)9-10-26(5)21(28)18-17(22)16-13(2)14(3)23-24-19(16)29-18;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;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;1-11-12(2)22-23-17-14(11)15(20)16(28-17)18(25)24(3)10-9-21-19(26)27-13-7-5-4-6-8-13;1-11-12(2)21-22-17-14(11)15(19)16(27-17)18(24)23(3)10-9-20-28(25,26)13-7-5-4-6-8-13/h6-8,11H,9-10,22H2,1-5H3;5-7,10H,8-9,21H2,1-4H3,(H,22,26);14H,5-11,21H2,1-4H3;4-8H,9-10,20H2,1-3H3,(H,21,26);4-8,20H,9-10,19H2,1-3H3
• InChIKey: GNHMGUHBHUMIRO-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 514.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2031.59
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate (CID 158307783) is 5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate.

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

The canonical SMILES for 5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate is Cc1cccc(C(=O)N(C)CCN(C)C(=O)c2sc3nnc(C)c(C)c3c2N)c1.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)CCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNS(=O)(=O)c3ccccc3)c(N)c2c1C.

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

The InChIKey is GNHMGUHBHUMIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S.C20H23N5O2S.C20H29N5O2S.C19H21N5O3S.C18H21N5O3S2/c1-12-7-6-8-15(11-12)20(27)25(4)9-10-26(5)21(28)18-17(22)16-13(2)14(3)23-24-19(16)29-18;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;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;1-11-12(2)22-23-17-14(11)15(20)16(28-17)18(25)24(3)10-9-21-19(26)27-13-7-5-4-6-8-13;1-11-12(2)21-22-17-14(11)15(19)16(27-17)18(24)23(3)10-9-20-28(25,26)13-7-5-4-6-8-13/h6-8,11H,9-10,22H2,1-5H3;5-7,10H,8-9,21H2,1-4H3,(H,22,26);14H,5-11,21H2,1-4H3;4-8H,9-10,20H2,1-3H3,(H,21,26);4-8,20H,9-10,19H2,1-3H3.

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

5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate has a molecular weight of 2031.59 g/mol, XLogP of 13.44, 26 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-(benzenesulfonamido)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;5-amino-N,3,4-trimethyl-N-[2-[methyl-(3-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]carbamate is sourced from PubChem (CID 158307783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).