N-(4-fluoro-3-methylsulfanylphenyl)acetamide

C9H10FNOS — CID 91881077

IUPACN-(4-fluoro-3-methylsulfanylphenyl)acetamide
SMILESCSc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C9H10FNOS/c1-6(12)11-7-3-4-8(10)9(5-7)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyCMKXRURDUISLRU-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.51
Rot. Bonds2

About N-(4-fluoro-3-methylsulfanylphenyl)acetamide

N-(4-fluoro-3-methylsulfanylphenyl)acetamide (PubChem CID 91881077) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(4-fluoro-3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylsulfanylphenyl)acetamide
PubChem CID91881077
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC NameN-(4-fluoro-3-methylsulfanylphenyl)acetamide
SMILESCSc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C9H10FNOS/c1-6(12)11-7-3-4-8(10)9(5-7)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyCMKXRURDUISLRU-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
CID 61455348
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
2-[(5-acetamido-2-fluorobenzoyl)amino]propanoic acid
CID 119348788
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
CID 43672568
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(4-fluoro-3-methylsulfanylphenyl)acetamide (CID 91881077) is N-(4-fluoro-3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-fluoro-3-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(4-fluoro-3-methylsulfanylphenyl)acetamide is CSc1cc(NC(C)=O)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylsulfanylphenyl)acetamide?
The InChIKey is CMKXRURDUISLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-6(12)11-7-3-4-8(10)9(5-7)13-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of N-(4-fluoro-3-methylsulfanylphenyl)acetamide?
N-(4-fluoro-3-methylsulfanylphenyl)acetamide has a molecular weight of 199.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 91881077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).