6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide

C109H83Cl2F4N11O22S6 — CID 159786754

About 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide

6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide (PubChem CID 159786754) has the molecular formula C109H83Cl2F4N11O22S6 and a molecular weight of 2238.22 g/mol. Its IUPAC name is 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 159786754
• Molecular Formula: C109H83Cl2F4N11O22S6
• Molecular Weight: 2238.22 g/mol
• Exact Mass: 2235.34
• IUPAC Name: 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide
• SMILES: CC(C)S(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1csc(C(N)=O)c1.CS(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc(Cl)nc2ccccc12.CS(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc2ccccc2nc1Cl.NC(=O)c1cc(Cn2c(C(=O)CS(=O)(=O)C3CC3)c(C3=CC=CCC3=O)c3c4c(c(F)cc32)CCO4)cs1
• InChI: InChI=1S/2C28H19ClFN3O5S.C27H23FN2O6S2.C26H22FN3O6S2/c1-39(36,37)32-28(35)26-24(18-7-3-5-9-22(18)34)25-21(13-19(30)17-10-11-38-27(17)25)33(26)14-15-12-23(29)31-20-8-4-2-6-16(15)20;1-39(36,37)32-28(35)25-23(18-7-3-5-9-22(18)34)24-21(13-19(30)17-10-11-38-26(17)24)33(25)14-16-12-15-6-2-4-8-20(15)31-27(16)29;28-18-10-19-24(26-16(18)7-8-36-26)23(17-3-1-2-4-20(17)31)25(21(32)13-38(34,35)15-5-6-15)30(19)11-14-9-22(27(29)33)37-12-14;1-13(2)38(34,35)29-26(33)23-21(16-5-3-4-6-19(16)31)22-18(10-17(27)15-7-8-36-24(15)22)30(23)11-14-9-20(25(28)32)37-12-14/h2*2-8,10-13H,9,14H2,1H3,(H,32,35);1-3,9-10,12,15H,4-8,11,13H2,(H2,29,33);3-5,7-10,12-13H,6,11H2,1-2H3,(H2,28,32)(H,29,33)
• InChIKey: NIAWJNKJTXCLFI-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 489.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.22
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide (CID 159786754) is 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide is CC(C)S(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1csc(C(N)=O)c1.CS(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc(Cl)nc2ccccc12.CS(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc2ccccc2nc1Cl.NC(=O)c1cc(Cn2c(C(=O)CS(=O)(=O)C3CC3)c(C3=CC=CCC3=O)c3c4c(c(F)cc32)CCO4)cs1.

What is the InChIKey of 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide?

The InChIKey is NIAWJNKJTXCLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H19ClFN3O5S.C27H23FN2O6S2.C26H22FN3O6S2/c1-39(36,37)32-28(35)26-24(18-7-3-5-9-22(18)34)25-21(13-19(30)17-10-11-38-27(17)25)33(26)14-15-12-23(29)31-20-8-4-2-6-16(15)20;1-39(36,37)32-28(35)25-23(18-7-3-5-9-22(18)34)24-21(13-19(30)17-10-11-38-26(17)24)33(25)14-16-12-15-6-2-4-8-20(15)31-27(16)29;28-18-10-19-24(26-16(18)7-8-36-26)23(17-3-1-2-4-20(17)31)25(21(32)13-38(34,35)15-5-6-15)30(19)11-14-9-22(27(29)33)37-12-14;1-13(2)38(34,35)29-26(33)23-21(16-5-3-4-6-19(16)31)22-18(10-17(27)15-7-8-36-24(15)22)30(23)11-14-9-20(25(28)32)37-12-14/h2*2-8,10-13H,9,14H2,1H3,(H,32,35);1-3,9-10,12,15H,4-8,11,13H2,(H2,29,33);3-5,7-10,12-13H,6,11H2,1-2H3,(H2,28,32)(H,29,33).

What are the key properties of 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide?

6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide has a molecular weight of 2238.22 g/mol, XLogP of 18.47, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-3-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxamide;4-[[7-(2-cyclopropylsulfonylacetyl)-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indol-6-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 159786754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).