2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide

C43H40F2N4O8S — CID 160732128

IUPAC2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1S(C)(=O)=O
InChIInChI=1S/C22H21FN2O5S.C21H19FN2O3/c1-12(2)29-17-11-16-18(22(26)24-3)20(13-5-7-14(23)8-6-13)30-21(16)15-9-10-25(19(15)17)31(4,27)28;1-11(2)26-16-10-15-17(21(25)23-3)19(12-4-6-13(22)7-5-12)27-20(15)14-8-9-24-18(14)16/h5-12H,1-4H3,(H,24,26);4-11,24H,1-3H3,(H,23,25)
InChIKeyRUMCPDOAAGGUNS-UHFFFAOYSA-N
MW810.88 g/mol
LogP9.02
Rot. Bonds9

About 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide (PubChem CID 160732128) has the molecular formula C43H40F2N4O8S and a molecular weight of 810.88 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
PubChem CID160732128
Molecular FormulaC43H40F2N4O8S
Molecular Weight810.88 g/mol
Exact Mass810.25
IUPAC Name2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1S(C)(=O)=O
InChIInChI=1S/C22H21FN2O5S.C21H19FN2O3/c1-12(2)29-17-11-16-18(22(26)24-3)20(13-5-7-14(23)8-6-13)30-21(16)15-9-10-25(19(15)17)31(4,27)28;1-11(2)26-16-10-15-17(21(25)23-3)19(12-4-6-13(22)7-5-12)27-20(15)14-8-9-24-18(14)16/h5-12H,1-4H3,(H,24,26);4-11,24H,1-3H3,(H,23,25)
InChIKeyRUMCPDOAAGGUNS-UHFFFAOYSA-N
XLogP9.02
TPSA157.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.88
LogP ≤ 59.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide with MolForge

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Related Compounds

N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 159574392
2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid
CID 118398838
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-methylsulfanylfuro[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-N-methyl-6-methylsulfanyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 144928419
6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-7,8-dihydrofuro[2,3-e]indole-3-carboxamide
CID 135267657
tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate
CID 118384359
2-(4-fluorophenyl)-N-methyl-6-(4-oxidothiomorpholin-4-ium-4-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
CID 87443789
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,8-dimethyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide
CID 118398795
methyl 2-(4-fluorophenyl)-6-(methanesulfonamido)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 67210939
[6-[bis(methylsulfonyl)amino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 59275442
2-(4-fluorophenyl)-N-methyl-6-methylsulfanylfuro[2,3-e]indole-3-carboxamide
CID 144928425
[2-(4-fluorophenyl)-6-(methanesulfonamido)-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 87539422
5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane
CID 158834437

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide (CID 160732128) is 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1S(C)(=O)=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The InChIKey is RUMCPDOAAGGUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S.C21H19FN2O3/c1-12(2)29-17-11-16-18(22(26)24-3)20(13-5-7-14(23)8-6-13)30-21(16)15-9-10-25(19(15)17)31(4,27)28;1-11(2)26-16-10-15-17(21(25)23-3)19(12-4-6-13(22)7-5-12)27-20(15)14-8-9-24-18(14)16/h5-12H,1-4H3,(H,24,26);4-11,24H,1-3H3,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide has a molecular weight of 810.88 g/mol, XLogP of 9.02, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 160732128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).