methyl 2-[(4-acetylphenyl)sulfanylamino]acetate

C11H13NO3S — CID 142094920

IUPACmethyl 2-[(4-acetylphenyl)sulfanylamino]acetate
SMILESCOC(=O)CNSc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H13NO3S/c1-8(13)9-3-5-10(6-4-9)16-12-7-11(14)15-2/h3-6,12H,7H2,1-2H3
InChIKeyZPEHYIDICJMCAN-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.66
Rot. Bonds5

About methyl 2-[(4-acetylphenyl)sulfanylamino]acetate

methyl 2-[(4-acetylphenyl)sulfanylamino]acetate (PubChem CID 142094920) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is methyl 2-[(4-acetylphenyl)sulfanylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-acetylphenyl)sulfanylamino]acetate
PubChem CID142094920
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Namemethyl 2-[(4-acetylphenyl)sulfanylamino]acetate
SMILESCOC(=O)CNSc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H13NO3S/c1-8(13)9-3-5-10(6-4-9)16-12-7-11(14)15-2/h3-6,12H,7H2,1-2H3
InChIKeyZPEHYIDICJMCAN-UHFFFAOYSA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(4-methylphenyl)sulfanylamino]acetate;1,1,1-trichloroethane
CID 88672837
methyl 3-(4-acetylphenyl)sulfanylpropanoate
CID 43408294
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243
1-(4-aminosulfanylphenyl)ethanone
CID 129026728
1-(4-aminosulfanylphenyl)ethanone;ethane
CID 142198565
1-(4-acetylphenyl)ethanone;methane
CID 159515104
tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
CID 44622255
methyl 2-(5-acetyl-2-phenylsulfanylphenyl)acetate
CID 86050884
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
methyl 2-[[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]acetate
CID 46636688
methyl 2-(iodosulfanylamino)acetate
CID 142914847

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetylphenyl)sulfanylamino]acetate?
The IUPAC name of methyl 2-[(4-acetylphenyl)sulfanylamino]acetate (CID 142094920) is methyl 2-[(4-acetylphenyl)sulfanylamino]acetate.
What is the SMILES notation for methyl 2-[(4-acetylphenyl)sulfanylamino]acetate?
The canonical SMILES for methyl 2-[(4-acetylphenyl)sulfanylamino]acetate is COC(=O)CNSc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 2-[(4-acetylphenyl)sulfanylamino]acetate?
The InChIKey is ZPEHYIDICJMCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8(13)9-3-5-10(6-4-9)16-12-7-11(14)15-2/h3-6,12H,7H2,1-2H3.
What are the key properties of methyl 2-[(4-acetylphenyl)sulfanylamino]acetate?
methyl 2-[(4-acetylphenyl)sulfanylamino]acetate has a molecular weight of 239.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetylphenyl)sulfanylamino]acetate is sourced from PubChem (CID 142094920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).