1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone

C16H16FNOS — CID 61449250

IUPAC1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H16FNOS/c1-11(19)15-9-12(17)4-7-16(15)18(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,13H,5-6,10H2,1H3
InChIKeyJQHLSEOYIZWBDB-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.26
Rot. Bonds5

About 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone

1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone (PubChem CID 61449250) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone
PubChem CID61449250
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H16FNOS/c1-11(19)15-9-12(17)4-7-16(15)18(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,13H,5-6,10H2,1H3
InChIKeyJQHLSEOYIZWBDB-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanone
CID 82966803
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62030677
4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
CID 63356225
4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 63368648
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-5-fluorobenzoic acid
CID 61434471
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61451030
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286907
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone (CID 61449250) is 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1N(Cc1cccs1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone?
The InChIKey is JQHLSEOYIZWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-11(19)15-9-12(17)4-7-16(15)18(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,13H,5-6,10H2,1H3.
What are the key properties of 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone?
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone is sourced from PubChem (CID 61449250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).