5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C120H109F5N14O20S5 — CID 161123093

IUPAC5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1ccccc1F.CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1ccccc1F.CCc1ccc2c(c1)c(C1=CC=CCC1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1C.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1F
InChIInChI=1S/C26H26N2O4S.2C24H22FN3O4S.C23H19F2N3O4S.C23H20FN3O4S/c1-4-18-13-14-22-21(15-18)24(20-11-7-8-12-23(20)29)25(26(30)27-33(3,31)32)28(22)16-19-10-6-5-9-17(19)2;2*1-3-33(31,32)27-24(30)22-21(17-8-6-12-26-23(17)29)18-13-15(2)10-11-20(18)28(22)14-16-7-4-5-9-19(16)25;1-13-10-16-19(11-18(13)25)28(12-14-6-3-4-8-17(14)24)21(23(30)27-33(2,31)32)20(16)15-7-5-9-26-22(15)29;1-14-9-10-19-17(12-14)20(16-7-5-11-25-22(16)28)21(23(29)26-32(2,30)31)27(19)13-15-6-3-4-8-18(15)24/h5-11,13-15H,4,12,16H2,1-3H3,(H,27,30);2*4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30);3-11H,12H2,1-2H3,(H,26,29)(H,27,30);3-12H,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyULEZQQFIAWQYPN-UHFFFAOYSA-N
MW2322.59 g/mol
LogP17.81
Rot. Bonds28

About 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 161123093) has the molecular formula C120H109F5N14O20S5 and a molecular weight of 2322.59 g/mol. Its IUPAC name is 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID161123093
Molecular FormulaC120H109F5N14O20S5
Molecular Weight2322.59 g/mol
Exact Mass2320.65
IUPAC Name5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1ccccc1F.CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1ccccc1F.CCc1ccc2c(c1)c(C1=CC=CCC1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1C.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1F
InChIInChI=1S/C26H26N2O4S.2C24H22FN3O4S.C23H19F2N3O4S.C23H20FN3O4S/c1-4-18-13-14-22-21(15-18)24(20-11-7-8-12-23(20)29)25(26(30)27-33(3,31)32)28(22)16-19-10-6-5-9-17(19)2;2*1-3-33(31,32)27-24(30)22-21(17-8-6-12-26-23(17)29)18-13-15(2)10-11-20(18)28(22)14-16-7-4-5-9-19(16)25;1-13-10-16-19(11-18(13)25)28(12-14-6-3-4-8-17(14)24)21(23(30)27-33(2,31)32)20(16)15-7-5-9-26-22(15)29;1-14-9-10-19-17(12-14)20(16-7-5-11-25-22(16)28)21(23(29)26-32(2,30)31)27(19)13-15-6-3-4-8-18(15)24/h5-11,13-15H,4,12,16H2,1-3H3,(H,27,30);2*4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30);3-11H,12H2,1-2H3,(H,26,29)(H,27,30);3-12H,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyULEZQQFIAWQYPN-UHFFFAOYSA-N
XLogP17.81
TPSA489.36 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002322.59
LogP ≤ 517.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide with MolForge

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Related Compounds

5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225825
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 161402054
5-ethyl-1-[[2-fluoro-5-(2-oxopropyl)phenyl]methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132751
5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132469
N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132538
5-tert-butyl-1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-chloro-5-nitrophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(4-chloroquinolin-3-yl)methyl]-5-methyl-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluoro-3-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 159203778
5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132789
N-cyclopropylsulfanyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 143773362
1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 66821636
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 158129895
3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one
CID 158842063
5-chloro-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)-1-[(2,3,4-trifluorophenyl)methyl]indole-2-carboxamide
CID 58132480

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 161123093) is 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1ccccc1F.CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1ccccc1F.CCc1ccc2c(c1)c(C1=CC=CCC1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1C.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1F.
What is the InChIKey of 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is ULEZQQFIAWQYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S.2C24H22FN3O4S.C23H19F2N3O4S.C23H20FN3O4S/c1-4-18-13-14-22-21(15-18)24(20-11-7-8-12-23(20)29)25(26(30)27-33(3,31)32)28(22)16-19-10-6-5-9-17(19)2;2*1-3-33(31,32)27-24(30)22-21(17-8-6-12-26-23(17)29)18-13-15(2)10-11-20(18)28(22)14-16-7-4-5-9-19(16)25;1-13-10-16-19(11-18(13)25)28(12-14-6-3-4-8-17(14)24)21(23(30)27-33(2,31)32)20(16)15-7-5-9-26-22(15)29;1-14-9-10-19-17(12-14)20(16-7-5-11-25-22(16)28)21(23(29)26-32(2,30)31)27(19)13-15-6-3-4-8-18(15)24/h5-11,13-15H,4,12,16H2,1-3H3,(H,27,30);2*4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30);3-11H,12H2,1-2H3,(H,26,29)(H,27,30);3-12H,13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 2322.59 g/mol, XLogP of 17.81, 28 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 161123093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).