2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone

C16H16FNOS — CID 62030102

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(Cc1cccs1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11H2
InChIKeyNQKOIVRGTNVBFH-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.73
Rot. Bonds6

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone (PubChem CID 62030102) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
PubChem CID62030102
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(Cc1cccs1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11H2
InChIKeyNQKOIVRGTNVBFH-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62030677
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 34408527
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
CID 110885670
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557
N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4694387
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 7299216
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 134001328

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone (CID 62030102) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone is O=C(CN(Cc1cccs1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone?
The InChIKey is NQKOIVRGTNVBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11H2.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone has a molecular weight of 289.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 62030102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).