N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide

C22H19FN2OS — CID 42774772

IUPACN-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCn1cc(C(CC(=O)Nc2ccccc2F)c2cccs2)c2ccccc21
InChIInChI=1S/C22H19FN2OS/c1-25-14-17(15-7-2-5-10-20(15)25)16(21-11-6-12-27-21)13-22(26)24-19-9-4-3-8-18(19)23/h2-12,14,16H,13H2,1H3,(H,24,26)
InChIKeyDGLUIWLYPDCWRW-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.54
Rot. Bonds5

About N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide

N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide (PubChem CID 42774772) has the molecular formula C22H19FN2OS and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
PubChem CID42774772
Molecular FormulaC22H19FN2OS
Molecular Weight378.47 g/mol
Exact Mass378.12
IUPAC NameN-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCn1cc(C(CC(=O)Nc2ccccc2F)c2cccs2)c2ccccc21
InChIInChI=1S/C22H19FN2OS/c1-25-14-17(15-7-2-5-10-20(15)25)16(21-11-6-12-27-21)13-22(26)24-19-9-4-3-8-18(19)23/h2-12,14,16H,13H2,1H3,(H,24,26)
InChIKeyDGLUIWLYPDCWRW-UHFFFAOYSA-N
XLogP5.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 4142450
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 42778058
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
CID 5087383
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
1-methyl-3-(1-thiophen-2-ylethyl)indole
CID 23649825
N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 42774253
1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole
CID 92720063
(3S)-3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 98412228
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98762253
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide (CID 42774772) is N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide is Cn1cc(C(CC(=O)Nc2ccccc2F)c2cccs2)c2ccccc21.
What is the InChIKey of N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is DGLUIWLYPDCWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2OS/c1-25-14-17(15-7-2-5-10-20(15)25)16(21-11-6-12-27-21)13-22(26)24-19-9-4-3-8-18(19)23/h2-12,14,16H,13H2,1H3,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide?
N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 378.47 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42774772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).