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

C24H28N2O3S — CID 58382951

IUPAC8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCOc1ccc2c(c1)c1c(n2CCO)-c2ccccc2SC1C(=O)N(CC)CC
InChIInChI=1S/C24H28N2O3S/c1-4-25(5-2)24(28)23-21-18-15-16(29-6-3)11-12-19(18)26(13-14-27)22(21)17-9-7-8-10-20(17)30-23/h7-12,15,23,27H,4-6,13-14H2,1-3H3
InChIKeyFGPPXOOOKUTIME-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.71
Rot. Bonds7

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

8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide (PubChem CID 58382951) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
PubChem CID58382951
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCOc1ccc2c(c1)c1c(n2CCO)-c2ccccc2SC1C(=O)N(CC)CC
InChIInChI=1S/C24H28N2O3S/c1-4-25(5-2)24(28)23-21-18-15-16(29-6-3)11-12-19(18)26(13-14-27)22(21)17-9-7-8-10-20(17)30-23/h7-12,15,23,27H,4-6,13-14H2,1-3H3
InChIKeyFGPPXOOOKUTIME-UHFFFAOYSA-N
XLogP4.71
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The IUPAC name of 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide (CID 58382951) is 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide.
What is the SMILES notation for 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The canonical SMILES for 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide is CCOc1ccc2c(c1)c1c(n2CCO)-c2ccccc2SC1C(=O)N(CC)CC.
What is the InChIKey of 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The InChIKey is FGPPXOOOKUTIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-4-25(5-2)24(28)23-21-18-15-16(29-6-3)11-12-19(18)26(13-14-27)22(21)17-9-7-8-10-20(17)30-23/h7-12,15,23,27H,4-6,13-14H2,1-3H3.
What are the key properties of 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide is sourced from PubChem (CID 58382951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).