8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide

C24H27FN2O2S — CID 58382957

IUPAC8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCOc1ccc2c(c1)c1c(n2CCF)-c2ccccc2SC1C(=O)N(CC)CC
InChIInChI=1S/C24H27FN2O2S/c1-4-26(5-2)24(28)23-21-18-15-16(29-6-3)11-12-19(18)27(14-13-25)22(21)17-9-7-8-10-20(17)30-23/h7-12,15,23H,4-6,13-14H2,1-3H3
InChIKeyGNESCJGWXGGGMS-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.69
Rot. Bonds7

About 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide

8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide (PubChem CID 58382957) has the molecular formula C24H27FN2O2S and a molecular weight of 426.56 g/mol. Its IUPAC name is 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
PubChem CID58382957
Molecular FormulaC24H27FN2O2S
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC Name8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCOc1ccc2c(c1)c1c(n2CCF)-c2ccccc2SC1C(=O)N(CC)CC
InChIInChI=1S/C24H27FN2O2S/c1-4-26(5-2)24(28)23-21-18-15-16(29-6-3)11-12-19(18)27(14-13-25)22(21)17-9-7-8-10-20(17)30-23/h7-12,15,23H,4-6,13-14H2,1-3H3
InChIKeyGNESCJGWXGGGMS-UHFFFAOYSA-N
XLogP5.69
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 58382948
(+-)-11-(2-Fluoroethyl)-8-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a] fluorene-6-carboxylic acid diethyl amide
CID 58382965
N,N-diethyl-11-(2-fluoroethyl)-9-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 58382975
N,N-diethyl-11-(2-fluoroethyl)-2-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579503
N,N-diethyl-11-(2-fluoroethyl)-3-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579504
N,N-diethyl-11-(2-fluoroethyl)-4-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579505
N,N-diethyl-11-(2-fluoroethyl)-2-hydroxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579591
N,N-diethyl-11-(2-fluoroethyl)-3-hydroxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579592
N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71580794
N,N-diethyl-11-(2-fluoroethyl)-8-(trifluoromethoxy)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71580972

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The IUPAC name of 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide (CID 58382957) is 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide.
What is the SMILES notation for 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The canonical SMILES for 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide is CCOc1ccc2c(c1)c1c(n2CCF)-c2ccccc2SC1C(=O)N(CC)CC.
What is the InChIKey of 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The InChIKey is GNESCJGWXGGGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2S/c1-4-26(5-2)24(28)23-21-18-15-16(29-6-3)11-12-19(18)27(14-13-25)22(21)17-9-7-8-10-20(17)30-23/h7-12,15,23H,4-6,13-14H2,1-3H3.
What are the key properties of 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide is sourced from PubChem (CID 58382957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).