3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide

C25H25FN2OS — CID 42774268

IUPAC3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide
SMILESCCCNC(=O)CC(c1ccsc1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H25FN2OS/c1-2-12-27-25(29)14-22(19-11-13-30-17-19)23-16-28(24-6-4-3-5-21(23)24)15-18-7-9-20(26)10-8-18/h3-11,13,16-17,22H,2,12,14-15H2,1H3,(H,27,29)
InChIKeyWYZWLSQNFHIIJP-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.94
Rot. Bonds8

About 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide

3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide (PubChem CID 42774268) has the molecular formula C25H25FN2OS and a molecular weight of 420.55 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide
PubChem CID42774268
Molecular FormulaC25H25FN2OS
Molecular Weight420.55 g/mol
Exact Mass420.17
IUPAC Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide
SMILESCCCNC(=O)CC(c1ccsc1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H25FN2OS/c1-2-12-27-25(29)14-22(19-11-13-30-17-19)23-16-28(24-6-4-3-5-21(23)24)15-18-7-9-20(26)10-8-18/h3-11,13,16-17,22H,2,12,14-15H2,1H3,(H,27,29)
InChIKeyWYZWLSQNFHIIJP-UHFFFAOYSA-N
XLogP5.94
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propylpropanamide
CID 92961416
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
CID 93002169
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
(3R)-3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-propylpropanamide
CID 93120205
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
CID 3620283
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
CID 5000823
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide
CID 3468833
1-(4-benzhydrylpiperazin-1-yl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-3-ylpropan-1-one
CID 4049531
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-3-ylpropan-1-one
CID 42664832
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 92957580

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide (CID 42774268) is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide is CCCNC(=O)CC(c1ccsc1)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide?
The InChIKey is WYZWLSQNFHIIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2OS/c1-2-12-27-25(29)14-22(19-11-13-30-17-19)23-16-28(24-6-4-3-5-21(23)24)15-18-7-9-20(26)10-8-18/h3-11,13,16-17,22H,2,12,14-15H2,1H3,(H,27,29).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide?
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide has a molecular weight of 420.55 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 42774268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).