2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate

C101H105N15O21S6 — CID 160694352

About 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate

2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate (PubChem CID 160694352) has the molecular formula C101H105N15O21S6 and a molecular weight of 2057.44 g/mol. Its IUPAC name is 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 160694352
• Molecular Formula: C101H105N15O21S6
• Molecular Weight: 2057.44 g/mol
• Exact Mass: 2055.59
• IUPAC Name: 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate
• SMILES: CCN1CCc2c(sc(NC(=O)c3ccnc(NC(C)=O)c3)c2C(=O)CC(=O)COC)C1.CCOC(=O)N(C)C(=O)c1ccsc1NC(=O)c1cccc(CC(C)=O)c1.CCOC(=O)c1c(NC(=O)c2ccnc(NC(C)=O)c2)sc2c1CCCC2.COCC(=O)CC(=O)c1c(NC(=O)c2ccnc(NC(C)=O)c2)sc2c1CCCC2.O=C(Nc1sccc1C(=O)NCc1ccccc1)c1nc2ccccc2s1
• InChI: InChI=1S/C22H26N4O5S.C21H23N3O5S.C20H15N3O2S2.C19H21N3O4S.C19H20N2O5S/c1-4-26-8-6-16-18(11-26)32-22(20(16)17(29)10-15(28)12-31-3)25-21(30)14-5-7-23-19(9-14)24-13(2)27;1-12(25)23-18-9-13(7-8-22-18)20(28)24-21-19(16(27)10-14(26)11-29-2)15-5-3-4-6-17(15)30-21;24-17(21-12-13-6-2-1-3-7-13)14-10-11-26-19(14)23-18(25)20-22-15-8-4-5-9-16(15)27-20;1-3-26-19(25)16-13-6-4-5-7-14(13)27-18(16)22-17(24)12-8-9-20-15(10-12)21-11(2)23;1-4-26-19(25)21(3)18(24)15-8-9-27-17(15)20-16(23)14-7-5-6-13(11-14)10-12(2)22/h5,7,9H,4,6,8,10-12H2,1-3H3,(H,25,30)(H,23,24,27);7-9H,3-6,10-11H2,1-2H3,(H,24,28)(H,22,23,25);1-11H,12H2,(H,21,24)(H,23,25);8-10H,3-7H2,1-2H3,(H,22,24)(H,20,21,23);5-9,11H,4,10H2,1-3H3,(H,20,23)
• InChIKey: RPURURCCEAIESW-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 493.42 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2057.44
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate (CID 160694352) is 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate is CCN1CCc2c(sc(NC(=O)c3ccnc(NC(C)=O)c3)c2C(=O)CC(=O)COC)C1.CCOC(=O)N(C)C(=O)c1ccsc1NC(=O)c1cccc(CC(C)=O)c1.CCOC(=O)c1c(NC(=O)c2ccnc(NC(C)=O)c2)sc2c1CCCC2.COCC(=O)CC(=O)c1c(NC(=O)c2ccnc(NC(C)=O)c2)sc2c1CCCC2.O=C(Nc1sccc1C(=O)NCc1ccccc1)c1nc2ccccc2s1.

What is the InChIKey of 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate?

The InChIKey is RPURURCCEAIESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S.C21H23N3O5S.C20H15N3O2S2.C19H21N3O4S.C19H20N2O5S/c1-4-26-8-6-16-18(11-26)32-22(20(16)17(29)10-15(28)12-31-3)25-21(30)14-5-7-23-19(9-14)24-13(2)27;1-12(25)23-18-9-13(7-8-22-18)20(28)24-21-19(16(27)10-14(26)11-29-2)15-5-3-4-6-17(15)30-21;24-17(21-12-13-6-2-1-3-7-13)14-10-11-26-19(14)23-18(25)20-22-15-8-4-5-9-16(15)27-20;1-3-26-19(25)16-13-6-4-5-7-14(13)27-18(16)22-17(24)12-8-9-20-15(10-12)21-11(2)23;1-4-26-19(25)21(3)18(24)15-8-9-27-17(15)20-16(23)14-7-5-6-13(11-14)10-12(2)22/h5,7,9H,4,6,8,10-12H2,1-3H3,(H,25,30)(H,23,24,27);7-9H,3-6,10-11H2,1-2H3,(H,24,28)(H,22,23,25);1-11H,12H2,(H,21,24)(H,23,25);8-10H,3-7H2,1-2H3,(H,22,24)(H,20,21,23);5-9,11H,4,10H2,1-3H3,(H,20,23).

What are the key properties of 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate?

2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate has a molecular weight of 2057.44 g/mol, XLogP of 16.85, 33 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 160694352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).