N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

C51H42F2N6O8S — CID 123615268

IUPACN-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NC(C)(C)C#N)c1)c1[nH]cc(CNC(=O)c3c(-c4ccc(F)cc4)oc4c3cc(OC(C)C)c3c4ccn3S(C)(=O)=O)c12
InChIInChI=1S/C51H42F2N6O8S/c1-26(2)65-38-22-37-41(45(28-12-16-33(53)17-13-28)66-46(37)34-18-19-59(43(34)38)68(6,63)64)50(62)57-24-31-23-56-42-35(29-8-7-9-30(20-29)48(60)58-51(3,4)25-54)21-36-40(49(61)55-5)44(67-47(36)39(31)42)27-10-14-32(52)15-11-27/h7-23,26,56H,24H2,1-6H3,(H,55,61)(H,57,62)(H,58,60)
InChIKeyKQXUOMQHLVAXPD-UHFFFAOYSA-N
MW936.99 g/mol
LogP9.81
Rot. Bonds12

About N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (PubChem CID 123615268) has the molecular formula C51H42F2N6O8S and a molecular weight of 936.99 g/mol. Its IUPAC name is N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
PubChem CID123615268
Molecular FormulaC51H42F2N6O8S
Molecular Weight936.99 g/mol
Exact Mass936.28
IUPAC NameN-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NC(C)(C)C#N)c1)c1[nH]cc(CNC(=O)c3c(-c4ccc(F)cc4)oc4c3cc(OC(C)C)c3c4ccn3S(C)(=O)=O)c12
InChIInChI=1S/C51H42F2N6O8S/c1-26(2)65-38-22-37-41(45(28-12-16-33(53)17-13-28)66-46(37)34-18-19-59(43(34)38)68(6,63)64)50(62)57-24-31-23-56-42-35(29-8-7-9-30(20-29)48(60)58-51(3,4)25-54)21-36-40(49(61)55-5)44(67-47(36)39(31)42)27-10-14-32(52)15-11-27/h7-23,26,56H,24H2,1-6H3,(H,55,61)(H,57,62)(H,58,60)
InChIKeyKQXUOMQHLVAXPD-UHFFFAOYSA-N
XLogP9.81
TPSA201.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.99
LogP ≤ 59.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide with MolForge

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Related Compounds

5-(15-fluoro-8-oxa-5,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
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2-(6-ethoxy-3-pyridinyl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 77845261
5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yloxy-3-pyridinyl)-1-benzofuran-3-carboxamide
CID 77845264
5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-1-benzofuran-3-carboxamide
CID 77845335
5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-2-(6-(4-fluorophenoxyl)pyridin-3-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 77845662
5-(14-fluoro-8-oxa-5,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
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CID 89435022
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-5,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 118886609
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CID 68239290

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (CID 123615268) is N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NC(C)(C)C#N)c1)c1[nH]cc(CNC(=O)c3c(-c4ccc(F)cc4)oc4c3cc(OC(C)C)c3c4ccn3S(C)(=O)=O)c12.
What is the InChIKey of N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The InChIKey is KQXUOMQHLVAXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42F2N6O8S/c1-26(2)65-38-22-37-41(45(28-12-16-33(53)17-13-28)66-46(37)34-18-19-59(43(34)38)68(6,63)64)50(62)57-24-31-23-56-42-35(29-8-7-9-30(20-29)48(60)58-51(3,4)25-54)21-36-40(49(61)55-5)44(67-47(36)39(31)42)27-10-14-32(52)15-11-27/h7-23,26,56H,24H2,1-6H3,(H,55,61)(H,57,62)(H,58,60).
What are the key properties of N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide has a molecular weight of 936.99 g/mol, XLogP of 9.81, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-8-yl]methyl]-2-(4-fluorophenyl)-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 123615268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).