2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone

C16H19NO2S — CID 62030108

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(Cc2ccco2)C2CC2)s1
InChIInChI=1S/C16H19NO2S/c1-2-14-7-8-16(20-14)15(18)11-17(12-5-6-12)10-13-4-3-9-19-13/h3-4,7-9,12H,2,5-6,10-11H2,1H3
InChIKeyWNMHOWDYUITJIV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.75
Rot. Bonds7

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 62030108) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID62030108
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(Cc2ccco2)C2CC2)s1
InChIInChI=1S/C16H19NO2S/c1-2-14-7-8-16(20-14)15(18)11-17(12-5-6-12)10-13-4-3-9-19-13/h3-4,7-9,12H,2,5-6,10-11H2,1H3
InChIKeyWNMHOWDYUITJIV-UHFFFAOYSA-N
XLogP3.75
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62030109
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036265
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63578588
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80728224
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
N-benzyl-2-[cyclopropyl(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 34218809
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 62031445

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone (CID 62030108) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN(Cc2ccco2)C2CC2)s1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is WNMHOWDYUITJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-14-7-8-16(20-14)15(18)11-17(12-5-6-12)10-13-4-3-9-19-13/h3-4,7-9,12H,2,5-6,10-11H2,1H3.
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 289.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 62030108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).