2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid

C16H15NO3S — CID 23967352

IUPAC2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid
SMILESCC(=O)Nc1ccc(Sc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C16H15NO3S/c1-11(18)17-13-6-8-14(9-7-13)21-15-5-3-2-4-12(15)10-16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyTUAGEKZGPHZHGN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid

2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid (PubChem CID 23967352) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid
PubChem CID23967352
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid
SMILESCC(=O)Nc1ccc(Sc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C16H15NO3S/c1-11(18)17-13-6-8-14(9-7-13)21-15-5-3-2-4-12(15)10-16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyTUAGEKZGPHZHGN-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
N-[4-[2-[(3-fluoro-2-hydroxyanilino)methyl]phenyl]sulfanylphenyl]acetamide
CID 69011245
N-[4-[2-[(3,4-difluoro-2-hydroxyanilino)methyl]phenyl]sulfanylphenyl]acetamide
CID 69013689
2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid
CID 71364363
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986
methyl 2-[2-(4-hydroxyphenyl)sulfanylphenyl]acetate
CID 18365028
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
3-[[2-(4-acetamidophenyl)sulfanylphenyl]methylamino]-2-hydroxybenzoic acid;2-hydroxy-3-[(2-quinolin-7-ylsulfanylphenyl)methylamino]benzoic acid
CID 158911554
cobalt;N-phenylacetamide
CID 158689050
2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
CID 12742097
2-(4-acetamidophenyl)sulfanyl-5-methylbenzoic acid
CID 62510654

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid?
The IUPAC name of 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid (CID 23967352) is 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid?
The canonical SMILES for 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid is CC(=O)Nc1ccc(Sc2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid?
The InChIKey is TUAGEKZGPHZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-11(18)17-13-6-8-14(9-7-13)21-15-5-3-2-4-12(15)10-16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid?
2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid is sourced from PubChem (CID 23967352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).