2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone

C16H19NOS — CID 2389185

IUPAC2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone
SMILESCC(C)N(CC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C16H19NOS/c1-13(2)17(11-14-7-4-3-5-8-14)12-15(18)16-9-6-10-19-16/h3-10,13H,11-12H2,1-2H3
InChIKeyPRJIGABDZKFCRM-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.84
Rot. Bonds6

About 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone

2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone (PubChem CID 2389185) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone
PubChem CID2389185
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone
SMILESCC(C)N(CC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C16H19NOS/c1-13(2)17(11-14-7-4-3-5-8-14)12-15(18)16-9-6-10-19-16/h3-10,13H,11-12H2,1-2H3
InChIKeyPRJIGABDZKFCRM-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone (CID 2389185) is 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone is CC(C)N(CC(=O)c1cccs1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone?
The InChIKey is PRJIGABDZKFCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-13(2)17(11-14-7-4-3-5-8-14)12-15(18)16-9-6-10-19-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone?
2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone has a molecular weight of 273.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 2389185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).