ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C86H78ClFN18O21S9 — CID 162281809

About ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 162281809) has the molecular formula C86H78ClFN18O21S9 and a molecular weight of 2042.73 g/mol. Its IUPAC name is ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 162281809
• Molecular Formula: C86H78ClFN18O21S9
• Molecular Weight: 2042.73 g/mol
• Exact Mass: 2040.27
• IUPAC Name: ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• SMILES: CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(N3CCOCC3)nccc2s1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)C1N(C)C=C2C=CC(C)=CN21.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccc(Cl)cc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cnccc2s1
• InChI: InChI=1S/C20H21N5O5S2.C18H20N4O4S.C17H13ClN2O4S2.C16H13N3O4S2.C15H11FN4O4S2/c1-11(2)30-20(28)24-16(26)12-4-10-31-18(12)23-17(27)19-22-14-13(32-19)3-5-21-15(14)25-6-8-29-9-7-25;1-4-26-18(25)20-14(23)13-7-8-27-16(13)19-15(24)17-21(3)10-12-6-5-11(2)9-22(12)17;1-2-24-17(23)20-14(21)11-5-6-25-16(11)19-15(22)13-7-9-3-4-10(18)8-12(9)26-13;1-2-23-16(22)19-13(20)10-4-6-24-15(10)18-14(21)12-7-9-8-17-5-3-11(9)25-12;1-2-24-15(23)20-11(21)7-5-10(16)26-13(7)19-12(22)14-18-8-6-17-4-3-9(8)25-14/h3-5,10-11H,6-9H2,1-2H3,(H,23,27)(H,24,26,28);5-10,17H,4H2,1-3H3,(H,19,24)(H,20,23,25);3-8H,2H2,1H3,(H,19,22)(H,20,21,23);3-8H,2H2,1H3,(H,18,21)(H,19,20,22);3-6H,2H2,1H3,(H,19,22)(H,20,21,23)
• InChIKey: MMPOMPQBHCKMKI-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 505.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.73
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 162281809) is ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(N3CCOCC3)nccc2s1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)C1N(C)C=C2C=CC(C)=CN21.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccc(Cl)cc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cnccc2s1.

What is the InChIKey of ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The InChIKey is MMPOMPQBHCKMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S2.C18H20N4O4S.C17H13ClN2O4S2.C16H13N3O4S2.C15H11FN4O4S2/c1-11(2)30-20(28)24-16(26)12-4-10-31-18(12)23-17(27)19-22-14-13(32-19)3-5-21-15(14)25-6-8-29-9-7-25;1-4-26-18(25)20-14(23)13-7-8-27-16(13)19-15(24)17-21(3)10-12-6-5-11(2)9-22(12)17;1-2-24-17(23)20-14(21)11-5-6-25-16(11)19-15(22)13-7-9-3-4-10(18)8-12(9)26-13;1-2-23-16(22)19-13(20)10-4-6-24-15(10)18-14(21)12-7-9-8-17-5-3-11(9)25-12;1-2-24-15(23)20-11(21)7-5-10(16)26-13(7)19-12(22)14-18-8-6-17-4-3-9(8)25-14/h3-5,10-11H,6-9H2,1-2H3,(H,23,27)(H,24,26,28);5-10,17H,4H2,1-3H3,(H,19,24)(H,20,23,25);3-8H,2H2,1H3,(H,19,22)(H,20,21,23);3-8H,2H2,1H3,(H,18,21)(H,19,20,22);3-6H,2H2,1H3,(H,19,22)(H,20,21,23).

What are the key properties of ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 2042.73 g/mol, XLogP of 16.86, 21 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 162281809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).