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

C23H30N2OS — CID 4150778

IUPAC3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
SMILESCCCCCCNC(=O)CC(c1ccsc1)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C23H30N2OS/c1-3-5-6-7-12-24-22(26)14-20(18-11-13-27-16-18)21-15-25-23-17(4-2)9-8-10-19(21)23/h8-11,13,15-16,20,25H,3-7,12,14H2,1-2H3,(H,24,26)
InChIKeyFXDSZEWTJXZXKN-UHFFFAOYSA-N
MW382.57 g/mol
LogP6.01
Rot. Bonds10

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

3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide (PubChem CID 4150778) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
PubChem CID4150778
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
SMILESCCCCCCNC(=O)CC(c1ccsc1)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C23H30N2OS/c1-3-5-6-7-12-24-22(26)14-20(18-11-13-27-16-18)21-15-25-23-17(4-2)9-8-10-19(21)23/h8-11,13,15-16,20,25H,3-7,12,14H2,1-2H3,(H,24,26)
InChIKeyFXDSZEWTJXZXKN-UHFFFAOYSA-N
XLogP6.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide
CID 42774496
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167
(3S)-N-butyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93123729
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide
CID 42803805
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide (CID 4150778) is 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide is CCCCCCNC(=O)CC(c1ccsc1)c1c[nH]c2c(CC)cccc12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide?
The InChIKey is FXDSZEWTJXZXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-3-5-6-7-12-24-22(26)14-20(18-11-13-27-16-18)21-15-25-23-17(4-2)9-8-10-19(21)23/h8-11,13,15-16,20,25H,3-7,12,14H2,1-2H3,(H,24,26).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide?
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide has a molecular weight of 382.57 g/mol, XLogP of 6.01, 10 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-hexyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 4150778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).