3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one

C17H21NOS — CID 46232020

IUPAC3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one
SMILESCC(C)N(CCC(=O)c1ccsc1)Cc1ccccc1
InChIInChI=1S/C17H21NOS/c1-14(2)18(12-15-6-4-3-5-7-15)10-8-17(19)16-9-11-20-13-16/h3-7,9,11,13-14H,8,10,12H2,1-2H3
InChIKeyUFNAODLLJPXBCF-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.23
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one

3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one (PubChem CID 46232020) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one
PubChem CID46232020
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one
SMILESCC(C)N(CCC(=O)c1ccsc1)Cc1ccccc1
InChIInChI=1S/C17H21NOS/c1-14(2)18(12-15-6-4-3-5-7-15)10-8-17(19)16-9-11-20-13-16/h3-7,9,11,13-14H,8,10,12H2,1-2H3
InChIKeyUFNAODLLJPXBCF-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one (CID 46232020) is 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one is CC(C)N(CCC(=O)c1ccsc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one?
The InChIKey is UFNAODLLJPXBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-14(2)18(12-15-6-4-3-5-7-15)10-8-17(19)16-9-11-20-13-16/h3-7,9,11,13-14H,8,10,12H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one?
3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one has a molecular weight of 287.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 46232020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).