3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide

C26H27FN2OS — CID 3620283

IUPAC3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
SMILESCC(C)CNC(=O)CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C26H27FN2OS/c1-18(2)15-28-26(30)14-22(25-8-5-13-31-25)23-17-29(24-7-4-3-6-21(23)24)16-19-9-11-20(27)12-10-19/h3-13,17-18,22H,14-16H2,1-2H3,(H,28,30)
InChIKeyYKIRTSOMFGSYKN-UHFFFAOYSA-N
MW434.58 g/mol
LogP6.18
Rot. Bonds8

About 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide

3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide (PubChem CID 3620283) has the molecular formula C26H27FN2OS and a molecular weight of 434.58 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
PubChem CID3620283
Molecular FormulaC26H27FN2OS
Molecular Weight434.58 g/mol
Exact Mass434.18
IUPAC Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
SMILESCC(C)CNC(=O)CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C26H27FN2OS/c1-18(2)15-28-26(30)14-22(25-8-5-13-31-25)23-17-29(24-7-4-3-6-21(23)24)16-19-9-11-20(27)12-10-19/h3-13,17-18,22H,14-16H2,1-2H3,(H,28,30)
InChIKeyYKIRTSOMFGSYKN-UHFFFAOYSA-N
XLogP6.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylpropanamide
CID 4259550
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 92957580
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 3576257
3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 4142450
3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488642
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide
CID 42774268
3-(1-benzylindol-3-yl)-N-cyclopropyl-3-thiophen-2-ylpropanamide
CID 42774940
(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
CID 93114899
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide (CID 3620283) is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide is CC(C)CNC(=O)CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide?
The InChIKey is YKIRTSOMFGSYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2OS/c1-18(2)15-28-26(30)14-22(25-8-5-13-31-25)23-17-29(24-7-4-3-6-21(23)24)16-19-9-11-20(27)12-10-19/h3-13,17-18,22H,14-16H2,1-2H3,(H,28,30).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide?
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide has a molecular weight of 434.58 g/mol, XLogP of 6.18, 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-(2-methylpropyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 3620283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).