N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide

C23H25FN2O2S — CID 71580794

IUPACN,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2cc(OCCF)ccc2-c2c1c1ccccc1n2C
InChIInChI=1S/C23H25FN2O2S/c1-4-26(5-2)23(27)22-20-16-8-6-7-9-18(16)25(3)21(20)17-11-10-15(28-13-12-24)14-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKeyHGLLKLAWIRKNPN-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.21
Rot. Bonds6

About N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide

N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide (PubChem CID 71580794) has the molecular formula C23H25FN2O2S and a molecular weight of 412.53 g/mol. Its IUPAC name is N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide
PubChem CID71580794
Molecular FormulaC23H25FN2O2S
Molecular Weight412.53 g/mol
Exact Mass412.16
IUPAC NameN,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2cc(OCCF)ccc2-c2c1c1ccccc1n2C
InChIInChI=1S/C23H25FN2O2S/c1-4-26(5-2)23(27)22-20-16-8-6-7-9-18(16)25(3)21(20)17-11-10-15(28-13-12-24)14-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKeyHGLLKLAWIRKNPN-UHFFFAOYSA-N
XLogP5.21
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The IUPAC name of N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide (CID 71580794) is N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The canonical SMILES for N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide is CCN(CC)C(=O)C1Sc2cc(OCCF)ccc2-c2c1c1ccccc1n2C.
What is the InChIKey of N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The InChIKey is HGLLKLAWIRKNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2S/c1-4-26(5-2)23(27)22-20-16-8-6-7-9-18(16)25(3)21(20)17-11-10-15(28-13-12-24)14-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide?
N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-fluoroethoxy)-11-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide is sourced from PubChem (CID 71580794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).