3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide

C23H21FN2OS — CID 42774496

IUPAC3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide
SMILESCCc1cccc2c(C(CC(=O)Nc3ccccc3F)c3ccsc3)c[nH]c12
InChIInChI=1S/C23H21FN2OS/c1-2-15-6-5-7-17-19(13-25-23(15)17)18(16-10-11-28-14-16)12-22(27)26-21-9-4-3-8-20(21)24/h3-11,13-14,18,25H,2,12H2,1H3,(H,26,27)
InChIKeyKOINYVRXNIJXAI-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.09
Rot. Bonds6

About 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide

3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide (PubChem CID 42774496) has the molecular formula C23H21FN2OS and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide
PubChem CID42774496
Molecular FormulaC23H21FN2OS
Molecular Weight392.50 g/mol
Exact Mass392.14
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide
SMILESCCc1cccc2c(C(CC(=O)Nc3ccccc3F)c3ccsc3)c[nH]c12
InChIInChI=1S/C23H21FN2OS/c1-2-15-6-5-7-17-19(13-25-23(15)17)18(16-10-11-28-14-16)12-22(27)26-21-9-4-3-8-20(21)24/h3-11,13-14,18,25H,2,12H2,1H3,(H,26,27)
InChIKeyKOINYVRXNIJXAI-UHFFFAOYSA-N
XLogP6.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
CID 4150778
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 42804500
N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide
CID 3428544
3-(7-ethyl-1H-indol-3-yl)-3-thiophen-3-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 4150774
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343
(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123805
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91635109
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide
CID 42778056

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide (CID 42774496) is 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide is CCc1cccc2c(C(CC(=O)Nc3ccccc3F)c3ccsc3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide?
The InChIKey is KOINYVRXNIJXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2OS/c1-2-15-6-5-7-17-19(13-25-23(15)17)18(16-10-11-28-14-16)12-22(27)26-21-9-4-3-8-20(21)24/h3-11,13-14,18,25H,2,12H2,1H3,(H,26,27).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide?
3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide has a molecular weight of 392.50 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 42774496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).