2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide

C15H15NOS — CID 52942227

IUPAC2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide
SMILESC=C(C)c1sccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C15H15NOS/c1-11(2)15-13(8-9-18-15)16-14(17)10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3,(H,16,17)
InChIKeyHAYQEKZBDCILER-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.96
Rot. Bonds4

About 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide

2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide (PubChem CID 52942227) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide
PubChem CID52942227
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide
SMILESC=C(C)c1sccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C15H15NOS/c1-11(2)15-13(8-9-18-15)16-14(17)10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3,(H,16,17)
InChIKeyHAYQEKZBDCILER-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide?
The IUPAC name of 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide (CID 52942227) is 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide is C=C(C)c1sccc1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide?
The InChIKey is HAYQEKZBDCILER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11(2)15-13(8-9-18-15)16-14(17)10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3,(H,16,17).
What are the key properties of 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide?
2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide has a molecular weight of 257.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-prop-1-en-2-ylthiophen-3-yl)acetamide is sourced from PubChem (CID 52942227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).