N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide

C24H33NO2S — CID 39340865

IUPACN-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide
SMILESCC(=O)N(CC[C@](C)(Cc1ccccc1)c1cccs1)[C@@H]1CCOC(C)(C)C1
InChIInChI=1S/C24H33NO2S/c1-19(26)25(21-12-15-27-23(2,3)18-21)14-13-24(4,22-11-8-16-28-22)17-20-9-6-5-7-10-20/h5-11,16,21H,12-15,17-18H2,1-4H3/t21-,24-/m1/s1
InChIKeyVGNJTNVGNYGZFX-ZJSXRUAMSA-N
MW399.60 g/mol
LogP5.44
Rot. Bonds7

About N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide

N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide (PubChem CID 39340865) has the molecular formula C24H33NO2S and a molecular weight of 399.60 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide
PubChem CID39340865
Molecular FormulaC24H33NO2S
Molecular Weight399.60 g/mol
Exact Mass399.22
IUPAC NameN-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide
SMILESCC(=O)N(CC[C@](C)(Cc1ccccc1)c1cccs1)[C@@H]1CCOC(C)(C)C1
InChIInChI=1S/C24H33NO2S/c1-19(26)25(21-12-15-27-23(2,3)18-21)14-13-24(4,22-11-8-16-28-22)17-20-9-6-5-7-10-20/h5-11,16,21H,12-15,17-18H2,1-4H3/t21-,24-/m1/s1
InChIKeyVGNJTNVGNYGZFX-ZJSXRUAMSA-N
XLogP5.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide?
The IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide (CID 39340865) is N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide?
The canonical SMILES for N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide is CC(=O)N(CC[C@](C)(Cc1ccccc1)c1cccs1)[C@@H]1CCOC(C)(C)C1.
What is the InChIKey of N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide?
The InChIKey is VGNJTNVGNYGZFX-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H33NO2S/c1-19(26)25(21-12-15-27-23(2,3)18-21)14-13-24(4,22-11-8-16-28-22)17-20-9-6-5-7-10-20/h5-11,16,21H,12-15,17-18H2,1-4H3/t21-,24-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide?
N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide has a molecular weight of 399.60 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide is sourced from PubChem (CID 39340865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).