6-(isopropylsulfanyl)-N-(4-methoxyphenyl)nicotinamide
Basic information
- CAS
339011-54-0- Standard SMILES
COc1ccc(NC(=O)c2ccc(SC(C)C)nc2)cc1- InChIKey
BUBMOSBBSGEWRG-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2S
- Average molar mass
- 302.4 g/mol
Names & identifiers
- Preferred name
- 6-(isopropylsulfanyl)-N-(4-methoxyphenyl)nicotinamide
- IUPAC
- N-(4-methoxyphenyl)-6-propan-2-ylsulfanylpyridine-3-carboxamide
- English name
- 6-(Isopropylsulfanyl)-N-(4-methoxyphenyl)nicotinamide
- Molecular formula
- C16H18N2O2S
- Molecular weight
- 302.39
Names & synonyms
339011-54-06-(isopropylsulfanyl)-N-(4-methoxyphenyl)nicotinamideN-(4-methoxyphenyl)-6-propan-2-ylsulfanylpyridine-3-carboxamideN-(4-methoxyphenyl)-6-(propan-2-ylsulfanyl)pyridine-3-carboxamide6-(Isopropylthio)-N-(4-methoxyphenyl)nicotinamideOprea1_864561AKOS0050979617G-447SMB00817N-(4-Methoxyphenyl)-6-[(1-methylethyl)thio]-3-pyridinecarboxamide3-Pyridinecarboxamide, N-(4-methoxyphenyl)-6-[(1-methylethyl)thio]-
Database identifiers
- CAS
339011-54-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 402.9 · 402.9±40.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 11.16 · 11.16±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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