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

C23H25FN2OS — CID 71579778

IUPACN,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCF
InChIInChI=1S/C23H25FN2OS/c1-3-25(4-2)23(27)22-20-16-10-5-7-12-18(16)26(15-9-14-24)21(20)17-11-6-8-13-19(17)28-22/h5-8,10-13,22H,3-4,9,14-15H2,1-2H3
InChIKeyGTBVMXOOPUKQEU-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.68
Rot. Bonds6

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

N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide (PubChem CID 71579778) has the molecular formula C23H25FN2OS and a molecular weight of 396.53 g/mol. Its IUPAC name is N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
PubChem CID71579778
Molecular FormulaC23H25FN2OS
Molecular Weight396.53 g/mol
Exact Mass396.17
IUPAC NameN,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCF
InChIInChI=1S/C23H25FN2OS/c1-3-25(4-2)23(27)22-20-16-10-5-7-12-18(16)26(15-9-14-24)21(20)17-11-6-8-13-19(17)28-22/h5-8,10-13,22H,3-4,9,14-15H2,1-2H3
InChIKeyGTBVMXOOPUKQEU-UHFFFAOYSA-N
XLogP5.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(2-Fluoroethyl)-6,11-dihydro-5-thia-11-aza-benzo[alpha]fluorene-6-carboxylic acid diethylamide
CID 57391052
N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57392557
6,11-Dihydro-5-thia-11-aza-benzo[alpha]fluorene-6-carboxylic acid diethylamide
CID 57852692
N,N-diethyl-11-(4-fluorobutyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 57852697
4-Fluoro-11-(2-fluoro-ethyl)-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene-6-carboxylic acid diethylamide
CID 58382973
3-Fluoro-11-(2-fluoro-ethyl)-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene-6-carboxylic acid diethylamide
CID 67336004
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
CID 555263
9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57394282
N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57399492
9-(2-fluoroethyl)-N,N-dihexyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57401257
N,N-diethyl-2-fluoro-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579506
8-cyano-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579590

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The IUPAC name of N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide (CID 71579778) is N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The canonical SMILES for N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide is CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCF.
What is the InChIKey of N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
The InChIKey is GTBVMXOOPUKQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2OS/c1-3-25(4-2)23(27)22-20-16-10-5-7-12-18(16)26(15-9-14-24)21(20)17-11-6-8-13-19(17)28-22/h5-8,10-13,22H,3-4,9,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide?
N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-11-(3-fluoropropyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide is sourced from PubChem (CID 71579778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).