4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one

C14H17NO2S — CID 60694532

IUPAC4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCN(CCCC(=O)c1cccs1)Cc1ccco1
InChIInChI=1S/C14H17NO2S/c1-15(11-12-5-3-9-17-12)8-2-6-13(16)14-7-4-10-18-14/h3-5,7,9-10H,2,6,8,11H2,1H3
InChIKeyXILVQJAVDSHOAZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.44
Rot. Bonds7

About 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one

4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one (PubChem CID 60694532) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
PubChem CID60694532
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCN(CCCC(=O)c1cccs1)Cc1ccco1
InChIInChI=1S/C14H17NO2S/c1-15(11-12-5-3-9-17-12)8-2-6-13(16)14-7-4-10-18-14/h3-5,7,9-10H,2,6,8,11H2,1H3
InChIKeyXILVQJAVDSHOAZ-UHFFFAOYSA-N
XLogP3.44
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
4-[(2-chlorophenyl)methyl-methylamino]-1-thiophen-2-ylbutan-1-one
CID 60692201
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60687710

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one (CID 60694532) is 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one is CN(CCCC(=O)c1cccs1)Cc1ccco1.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one?
The InChIKey is XILVQJAVDSHOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-15(11-12-5-3-9-17-12)8-2-6-13(16)14-7-4-10-18-14/h3-5,7,9-10H,2,6,8,11H2,1H3.
What are the key properties of 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one?
4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 60694532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).