N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide

C23H25FN2O2S — CID 58382948

IUPACN,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cccc(OC)c1n2CCF
InChIInChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-16-10-8-11-17(28-3)20(16)26(14-13-24)21(19)15-9-6-7-12-18(15)29-22/h6-12,22H,4-5,13-14H2,1-3H3
InChIKeyCSWQEZJPOVECNM-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.30
Rot. Bonds6

About N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide

N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide (PubChem CID 58382948) has the molecular formula C23H25FN2O2S and a molecular weight of 412.53 g/mol. Its IUPAC name is N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
PubChem CID58382948
Molecular FormulaC23H25FN2O2S
Molecular Weight412.53 g/mol
Exact Mass412.16
IUPAC NameN,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cccc(OC)c1n2CCF
InChIInChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-16-10-8-11-17(28-3)20(16)26(14-13-24)21(19)15-9-6-7-12-18(15)29-22/h6-12,22H,4-5,13-14H2,1-3H3
InChIKeyCSWQEZJPOVECNM-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The IUPAC name of N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide (CID 58382948) is N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The canonical SMILES for N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide is CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cccc(OC)c1n2CCF.
What is the InChIKey of N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The InChIKey is CSWQEZJPOVECNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-16-10-8-11-17(28-3)20(16)26(14-13-24)21(19)15-9-6-7-12-18(15)29-22/h6-12,22H,4-5,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide?
N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-11-(2-fluoroethyl)-10-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide is sourced from PubChem (CID 58382948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).