N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide

C16H14FNO2S — CID 19299396

IUPACN-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FNO2S/c1-11(19)18-14-3-2-4-15(9-14)21-10-16(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyOBOBCCMOJVJSGY-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.76
Rot. Bonds5

About N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide

N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 19299396) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID19299396
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC NameN-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FNO2S/c1-11(19)18-14-3-2-4-15(9-14)21-10-16(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyOBOBCCMOJVJSGY-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]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

N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
1-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylthiourea
CID 19300075
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299599
N-[3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 19299592
N-[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299398
4-fluoro-N-[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299596
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-[(Z)-3-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19301611
N-[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299435
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
1-(4-acetylphenyl)-3-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]thiourea
CID 19300140
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide (CID 19299396) is N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1cccc(SCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is OBOBCCMOJVJSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-11(19)18-14-3-2-4-15(9-14)21-10-16(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 19299396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).