N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide

C16H19NO2S — CID 71782427

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-2-13(12-7-4-3-5-8-12)16(19)17-11-14(18)15-9-6-10-20-15/h3-10,13-14,18H,2,11H2,1H3,(H,17,19)
InChIKeyXJMWDWHRZXLMFZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide (PubChem CID 71782427) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide
PubChem CID71782427
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-2-13(12-7-4-3-5-8-12)16(19)17-11-14(18)15-9-6-10-20-15/h3-10,13-14,18H,2,11H2,1H3,(H,17,19)
InChIKeyXJMWDWHRZXLMFZ-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide (CID 71782427) is N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide is CCC(C(=O)NCC(O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide?
The InChIKey is XJMWDWHRZXLMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-13(12-7-4-3-5-8-12)16(19)17-11-14(18)15-9-6-10-20-15/h3-10,13-14,18H,2,11H2,1H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide has a molecular weight of 289.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylbutanamide is sourced from PubChem (CID 71782427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).