About N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide
N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide (PubChem CID 73053859) has the molecular formula C16H15NOS
and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide.
Molecular Properties
| Compound Name | N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide |
| PubChem CID | 73053859 |
| Molecular Formula | C16H15NOS |
| Molecular Weight | 269.37 g/mol |
| Exact Mass | 269.09 |
| IUPAC Name | N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide |
| SMILES | CC(=O)Nc1ccc(S/C=C\c2ccccc2)cc1 |
| InChI | InChI=1S/C16H15NOS/c1-13(18)17-15-7-9-16(10-8-15)19-12-11-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-11- |
| InChIKey | UTWNLLSZVHVJMH-QXMHVHEDSA-N |
| XLogP | 4.41 |
| TPSA | 29.10 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 269.37 |
| LogP ≤ 5 | 4.41 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide (CID 73053859) is N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(S/C=C\c2ccccc2)cc1.
What is the InChIKey of N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide?
The InChIKey is UTWNLLSZVHVJMH-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H15NOS/c1-13(18)17-15-7-9-16(10-8-15)19-12-11-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-11-.
What are the key properties of N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide?
N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 73053859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).