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

C23H22FN3OS — CID 71579590

IUPAC8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C#N)ccc1n2CCF
InChIInChI=1S/C23H22FN3OS/c1-3-26(4-2)23(28)22-20-17-13-15(14-25)9-10-18(17)27(12-11-24)21(20)16-7-5-6-8-19(16)29-22/h5-10,13,22H,3-4,11-12H2,1-2H3
InChIKeySNJYUMRFDSCNJR-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.16
Rot. Bonds5

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

8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide (PubChem CID 71579590) has the molecular formula C23H22FN3OS and a molecular weight of 407.51 g/mol. Its IUPAC name is 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide.

Molecular Properties

Compound Name8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
PubChem CID71579590
Molecular FormulaC23H22FN3OS
Molecular Weight407.51 g/mol
Exact Mass407.15
IUPAC Name8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C#N)ccc1n2CCF
InChIInChI=1S/C23H22FN3OS/c1-3-26(4-2)23(28)22-20-17-13-15(14-25)9-10-18(17)27(12-11-24)21(20)16-7-5-6-8-19(16)29-22/h5-10,13,22H,3-4,11-12H2,1-2H3
InChIKeySNJYUMRFDSCNJR-UHFFFAOYSA-N
XLogP5.16
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The IUPAC name of 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide (CID 71579590) is 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide.
What is the SMILES notation for 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The canonical SMILES for 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide is CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C#N)ccc1n2CCF.
What is the InChIKey of 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The InChIKey is SNJYUMRFDSCNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3OS/c1-3-26(4-2)23(28)22-20-17-13-15(14-25)9-10-18(17)27(12-11-24)21(20)16-7-5-6-8-19(16)29-22/h5-10,13,22H,3-4,11-12H2,1-2H3.
What are the key properties of 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide is sourced from PubChem (CID 71579590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).