ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C85H72F2N14O20S10 — CID 158050473

About ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 158050473) has the molecular formula C85H72F2N14O20S10 and a molecular weight of 1968.25 g/mol. Its IUPAC name is ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 158050473
• Molecular Formula: C85H72F2N14O20S10
• Molecular Weight: 1968.25 g/mol
• Exact Mass: 1966.22
• IUPAC Name: ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• SMILES: CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cc2c(F)cccc2s1.CCC(CC)OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cccc(F)c2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cccnc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccncc2s1
• InChI: InChI=1S/C18H15FN2O4S2.C18H18N4O4S2.C17H13FN2O4S2.2C16H13N3O4S2/c1-9(2)25-18(24)21-15(22)10-6-7-26-17(10)20-16(23)14-8-11-12(19)4-3-5-13(11)27-14;1-3-10(4-2)26-18(25)22-14(23)11-6-8-27-16(11)21-15(24)17-20-12-9-19-7-5-13(12)28-17;1-2-24-17(23)20-14(21)10-6-7-25-16(10)19-15(22)12-8-9-4-3-5-11(18)13(9)26-12;1-2-23-16(22)19-13(20)10-4-6-24-15(10)18-14(21)11-7-9-3-5-17-8-12(9)25-11;1-2-23-16(22)19-12(20)10-5-7-24-15(10)18-13(21)11-8-9-4-3-6-17-14(9)25-11/h3-9H,1-2H3,(H,20,23)(H,21,22,24);5-10H,3-4H2,1-2H3,(H,21,24)(H,22,23,25);3-8H,2H2,1H3,(H,19,22)(H,20,21,23);2*3-8H,2H2,1H3,(H,18,21)(H,19,20,22)
• InChIKey: FJKMZQCMZNGHKF-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 474.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.25
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

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-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 158050473) is ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cc2c(F)cccc2s1.CCC(CC)OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cccc(F)c2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cccnc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccncc2s1.

What is the InChIKey of ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The InChIKey is FJKMZQCMZNGHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S2.C18H18N4O4S2.C17H13FN2O4S2.2C16H13N3O4S2/c1-9(2)25-18(24)21-15(22)10-6-7-26-17(10)20-16(23)14-8-11-12(19)4-3-5-13(11)27-14;1-3-10(4-2)26-18(25)22-14(23)11-6-8-27-16(11)21-15(24)17-20-12-9-19-7-5-13(12)28-17;1-2-24-17(23)20-14(21)10-6-7-25-16(10)19-15(22)12-8-9-4-3-5-11(18)13(9)26-12;1-2-23-16(22)19-13(20)10-4-6-24-15(10)18-14(21)11-7-9-3-5-17-8-12(9)25-11;1-2-23-16(22)19-12(20)10-5-7-24-15(10)18-13(21)11-8-9-4-3-6-17-14(9)25-11/h3-9H,1-2H3,(H,20,23)(H,21,22,24);5-10H,3-4H2,1-2H3,(H,21,24)(H,22,23,25);3-8H,2H2,1H3,(H,19,22)(H,20,21,23);2*3-8H,2H2,1H3,(H,18,21)(H,19,20,22).

What are the key properties of ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 1968.25 g/mol, XLogP of 19.92, 22 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[2,3-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;pentan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 158050473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).