N-(4-phenylbutan-2-yl)thiophene-2-carboxamide

C15H17NOS — CID 2914284

IUPACN-(4-phenylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C15H17NOS/c1-12(9-10-13-6-3-2-4-7-13)16-15(17)14-8-5-11-18-14/h2-8,11-12H,9-10H2,1H3,(H,16,17)
InChIKeyTUVINXNITJRCRF-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.50
Rot. Bonds5

About N-(4-phenylbutan-2-yl)thiophene-2-carboxamide

N-(4-phenylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 2914284) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)thiophene-2-carboxamide
PubChem CID2914284
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-(4-phenylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C15H17NOS/c1-12(9-10-13-6-3-2-4-7-13)16-15(17)14-8-5-11-18-14/h2-8,11-12H,9-10H2,1H3,(H,16,17)
InChIKeyTUVINXNITJRCRF-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.50
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)thiophene-2-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)thiophene-2-carboxamide (CID 2914284) is N-(4-phenylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)thiophene-2-carboxamide is CC(CCc1ccccc1)NC(=O)c1cccs1.
What is the InChIKey of N-(4-phenylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is TUVINXNITJRCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12(9-10-13-6-3-2-4-7-13)16-15(17)14-8-5-11-18-14/h2-8,11-12H,9-10H2,1H3,(H,16,17).
What are the key properties of N-(4-phenylbutan-2-yl)thiophene-2-carboxamide?
N-(4-phenylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 3.50, 5 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)thiophene-2-carboxamide is sourced from PubChem (CID 2914284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).