N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide

C16H19NOS — CID 2914787

IUPACN-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1cccs1
InChIInChI=1S/C16H19NOS/c1-13(9-10-14-6-3-2-4-7-14)17-16(18)12-15-8-5-11-19-15/h2-8,11,13H,9-10,12H2,1H3,(H,17,18)
InChIKeyUMXDEHWPCGVBHV-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.43
Rot. Bonds6

About N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide

N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 2914787) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide
PubChem CID2914787
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1cccs1
InChIInChI=1S/C16H19NOS/c1-13(9-10-14-6-3-2-4-7-14)17-16(18)12-15-8-5-11-19-15/h2-8,11,13H,9-10,12H2,1H3,(H,17,18)
InChIKeyUMXDEHWPCGVBHV-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide (CID 2914787) is N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide is CC(CCc1ccccc1)NC(=O)Cc1cccs1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is UMXDEHWPCGVBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-13(9-10-14-6-3-2-4-7-14)17-16(18)12-15-8-5-11-19-15/h2-8,11,13H,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide?
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 273.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2914787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).