N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate

C85H81N15O20S7 — CID 159701407

About N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate

N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 159701407) has the molecular formula C85H81N15O20S7 and a molecular weight of 1857.14 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 159701407
• Molecular Formula: C85H81N15O20S7
• Molecular Weight: 1857.14 g/mol
• Exact Mass: 1855.38
• IUPAC Name: N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate
• SMILES: CC(=O)Cc1cc(C(=O)Nc2sccc2C(=O)N(C)C)ccn1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cc(C)ccc2n1.CCOC(=O)NC(=O)c1ccsc1NCc1nc2ccccc2s1.CCOCCOCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccccc2s1.COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1
• InChI: InChI=1S/C21H22N2O6S2.C17H16N4O4S.C16H15N3O3S2.C16H17N3O3S.C15H11N3O4S/c1-2-27-8-9-28-10-11-29-21(26)23-18(24)15-7-12-30-20(15)22-19(25)17-13-14-5-3-4-6-16(14)31-17;1-3-25-17(24)20-14(22)11-6-7-26-16(11)19-15(23)12-9-21-8-10(2)4-5-13(21)18-12;1-2-22-16(21)19-14(20)10-7-8-23-15(10)17-9-13-18-11-5-3-4-6-12(11)24-13;1-10(20)8-12-9-11(4-6-17-12)14(21)18-15-13(5-7-23-15)16(22)19(2)3;1-22-15(21)18-13(20)11-6-7-23-14(11)17-12(19)10-4-2-9(8-16)3-5-10/h3-7,12-13H,2,8-11H2,1H3,(H,22,25)(H,23,24,26);4-9H,3H2,1-2H3,(H,19,23)(H,20,22,24);3-8,17H,2,9H2,1H3,(H,19,20,21);4-7,9H,8H2,1-3H3,(H,18,21);2-7H,1H3,(H,17,19)(H,18,20,21)
• InChIKey: MXQYMRWEGUWIPG-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 472.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1857.14
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate (CID 159701407) is N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate is CC(=O)Cc1cc(C(=O)Nc2sccc2C(=O)N(C)C)ccn1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cc(C)ccc2n1.CCOC(=O)NC(=O)c1ccsc1NCc1nc2ccccc2s1.CCOCCOCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccccc2s1.COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1.

What is the InChIKey of N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate?

The InChIKey is MXQYMRWEGUWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S2.C17H16N4O4S.C16H15N3O3S2.C16H17N3O3S.C15H11N3O4S/c1-2-27-8-9-28-10-11-29-21(26)23-18(24)15-7-12-30-20(15)22-19(25)17-13-14-5-3-4-6-16(14)31-17;1-3-25-17(24)20-14(22)11-6-7-26-16(11)19-15(23)12-9-21-8-10(2)4-5-13(21)18-12;1-2-22-16(21)19-14(20)10-7-8-23-15(10)17-9-13-18-11-5-3-4-6-12(11)24-13;1-10(20)8-12-9-11(4-6-17-12)14(21)18-15-13(5-7-23-15)16(22)19(2)3;1-22-15(21)18-13(20)11-6-7-23-14(11)17-12(19)10-4-2-9(8-16)3-5-10/h3-7,12-13H,2,8-11H2,1H3,(H,22,25)(H,23,24,26);4-9H,3H2,1-2H3,(H,19,23)(H,20,22,24);3-8,17H,2,9H2,1H3,(H,19,20,21);4-7,9H,8H2,1-3H3,(H,18,21);2-7H,1H3,(H,17,19)(H,18,20,21).

What are the key properties of N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate?

N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 1857.14 g/mol, XLogP of 15.43, 27 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylcarbamoyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;2-(2-ethoxyethoxy)ethyl N-[2-(1-benzothiophene-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazol-2-ylmethylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 159701407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).