2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

C15H21F2NO2S — CID 66180289

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO2S/c1-10(2)7-15(3,20)9-18-14(19)8-21-13-5-4-11(16)6-12(13)17/h4-6,10,20H,7-9H2,1-3H3,(H,18,19)
InChIKeyMKNIODLNNPRFIC-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.97
Rot. Bonds7

About 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (PubChem CID 66180289) has the molecular formula C15H21F2NO2S and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
PubChem CID66180289
Molecular FormulaC15H21F2NO2S
Molecular Weight317.40 g/mol
Exact Mass317.13
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO2S/c1-10(2)7-15(3,20)9-18-14(19)8-21-13-5-4-11(16)6-12(13)17/h4-6,10,20H,7-9H2,1-3H3,(H,18,19)
InChIKeyMKNIODLNNPRFIC-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
CID 66179176
2-(2,4-difluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724718
(2R)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 103926709
(2S)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 61155164
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide
CID 115700812
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
3-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 81065977
2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485139

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (CID 66180289) is 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is CC(C)CC(C)(O)CNC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The InChIKey is MKNIODLNNPRFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2S/c1-10(2)7-15(3,20)9-18-14(19)8-21-13-5-4-11(16)6-12(13)17/h4-6,10,20H,7-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide has a molecular weight of 317.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is sourced from PubChem (CID 66180289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).