1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone

C12H13NO2S — CID 104651558

IUPAC1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2cccs2)o1
InChIInChI=1S/C12H13NO2S/c1-9(14)11-5-6-12(15-11)13(2)8-10-4-3-7-16-10/h3-7H,8H2,1-2H3
InChIKeyFTQNCQLOVSVFDW-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.18
Rot. Bonds4

About 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone

1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone (PubChem CID 104651558) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone
PubChem CID104651558
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2cccs2)o1
InChIInChI=1S/C12H13NO2S/c1-9(14)11-5-6-12(15-11)13(2)8-10-4-3-7-16-10/h3-7H,8H2,1-2H3
InChIKeyFTQNCQLOVSVFDW-UHFFFAOYSA-N
XLogP3.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
5-chloro-N-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 103601880
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 107112043
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 46992213
2-chloro-4-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 62945920
2,2,2-trifluoro-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 62490776
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484

Frequently Asked Questions

What is the IUPAC name of 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone (CID 104651558) is 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone is CC(=O)c1ccc(N(C)Cc2cccs2)o1.
What is the InChIKey of 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone?
The InChIKey is FTQNCQLOVSVFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-9(14)11-5-6-12(15-11)13(2)8-10-4-3-7-16-10/h3-7H,8H2,1-2H3.
What are the key properties of 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone?
1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone has a molecular weight of 235.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone is sourced from PubChem (CID 104651558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).