4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one

C17H21NOS — CID 60687710

IUPAC4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCCN(CCCC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-18(14-15-8-4-3-5-9-15)12-6-10-16(19)17-11-7-13-20-17/h3-5,7-9,11,13H,2,6,10,12,14H2,1H3
InChIKeyKKJKLJVVORGFPZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.23
Rot. Bonds8

About 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one

4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one (PubChem CID 60687710) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
PubChem CID60687710
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCCN(CCCC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-18(14-15-8-4-3-5-9-15)12-6-10-16(19)17-11-7-13-20-17/h3-5,7-9,11,13H,2,6,10,12,14H2,1H3
InChIKeyKKJKLJVVORGFPZ-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
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
N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 78781446
4-[(2-chlorophenyl)methyl-methylamino]-1-thiophen-2-ylbutan-1-one
CID 60692201
(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide
CID 15741719
N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
CID 110298043
4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60694532
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one (CID 60687710) is 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one is CCN(CCCC(=O)c1cccs1)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one?
The InChIKey is KKJKLJVVORGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-18(14-15-8-4-3-5-9-15)12-6-10-16(19)17-11-7-13-20-17/h3-5,7-9,11,13H,2,6,10,12,14H2,1H3.
What are the key properties of 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one?
4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one has a molecular weight of 287.43 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 60687710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).