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

C23H25FN2OS — CID 71580971

IUPACN,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C)ccc1n2CCF
InChIInChI=1S/C23H25FN2OS/c1-4-25(5-2)23(27)22-20-17-14-15(3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)28-22/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKeyRPTPJEUHLRSHME-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.60
Rot. Bonds5

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

N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide (PubChem CID 71580971) has the molecular formula C23H25FN2OS and a molecular weight of 396.53 g/mol. Its IUPAC name is N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide
PubChem CID71580971
Molecular FormulaC23H25FN2OS
Molecular Weight396.53 g/mol
Exact Mass396.17
IUPAC NameN,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C)ccc1n2CCF
InChIInChI=1S/C23H25FN2OS/c1-4-25(5-2)23(27)22-20-17-14-15(3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)28-22/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKeyRPTPJEUHLRSHME-UHFFFAOYSA-N
XLogP5.60
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The IUPAC name of N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide (CID 71580971) is N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The canonical SMILES for N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide is CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C)ccc1n2CCF.
What is the InChIKey of N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The InChIKey is RPTPJEUHLRSHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2OS/c1-4-25(5-2)23(27)22-20-17-14-15(3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)28-22/h6-11,14,22H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide?
N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide is sourced from PubChem (CID 71580971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).