2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide

C16H24FNOS — CID 102914295

IUPAC2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)CSc1ccccc1F)C(C)C
InChIInChI=1S/C16H24FNOS/c1-11(2)13(12(3)4)9-18-16(19)10-20-15-8-6-5-7-14(15)17/h5-8,11-13H,9-10H2,1-4H3,(H,18,19)
InChIKeyVJKWCRCAAXMPCH-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.96
Rot. Bonds7

About 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide (PubChem CID 102914295) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide
PubChem CID102914295
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)CSc1ccccc1F)C(C)C
InChIInChI=1S/C16H24FNOS/c1-11(2)13(12(3)4)9-18-16(19)10-20-15-8-6-5-7-14(15)17/h5-8,11-13H,9-10H2,1-4H3,(H,18,19)
InChIKeyVJKWCRCAAXMPCH-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)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-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66172991
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 80538451
N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 65112402
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(2-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107232672
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7676848
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-fluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724258
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide (CID 102914295) is 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide is CC(C)C(CNC(=O)CSc1ccccc1F)C(C)C.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The InChIKey is VJKWCRCAAXMPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-11(2)13(12(3)4)9-18-16(19)10-20-15-8-6-5-7-14(15)17/h5-8,11-13H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide is sourced from PubChem (CID 102914295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).