4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide

C21H22FN3OS — CID 167885656

IUPAC4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(CCN2CCSCC2)cc1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C21H22FN3OS/c22-18-2-1-3-19-20(18)17(14-23-19)21(26)24-16-6-4-15(5-7-16)8-9-25-10-12-27-13-11-25/h1-7,14,23H,8-13H2,(H,24,26)
InChIKeyUTDVDEXFOJLGEZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.15
Rot. Bonds5

About 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide

4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 167885656) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide
PubChem CID167885656
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC Name4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(CCN2CCSCC2)cc1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C21H22FN3OS/c22-18-2-1-3-19-20(18)17(14-23-19)21(26)24-16-6-4-15(5-7-16)8-9-25-10-12-27-13-11-25/h1-7,14,23H,8-13H2,(H,24,26)
InChIKeyUTDVDEXFOJLGEZ-UHFFFAOYSA-N
XLogP4.15
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-(thiomorpholin-4-ylmethyl)-1H-indole-4-carboxamide
CID 53137755
3-amino-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]benzamide;dihydrochloride
CID 119869864
2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119869869
N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide
CID 119869819
4-bromo-5-propan-2-yl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 56565687
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
[4-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indol-3-yl]-phenylmethanone
CID 15487213
3-amino-2-methyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
CID 120503508
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
(3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide
CID 95286627
1-[1-(4-chlorophenyl)ethyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606653

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide (CID 167885656) is 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide is O=C(Nc1ccc(CCN2CCSCC2)cc1)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is UTDVDEXFOJLGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3OS/c22-18-2-1-3-19-20(18)17(14-23-19)21(26)24-16-6-4-15(5-7-16)8-9-25-10-12-27-13-11-25/h1-7,14,23H,8-13H2,(H,24,26).
What are the key properties of 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide?
4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 167885656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).