2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate

C11H12NO4S- — CID 6927748

IUPAC2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate
SMILESCCOc1ccc(C(N)=O)c(SCC(=O)[O-])c1
InChIInChI=1S/C11H13NO4S/c1-2-16-7-3-4-8(11(12)15)9(5-7)17-6-10(13)14/h3-5H,2,6H2,1H3,(H2,12,15)(H,13,14)/p-1
InChIKeyXETNLDWLMNXRIA-UHFFFAOYSA-M
MW254.29 g/mol
LogP0.03
Rot. Bonds6

About 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate

2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate (PubChem CID 6927748) has the molecular formula C11H12NO4S- and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate.

Molecular Properties

Compound Name2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate
PubChem CID6927748
Molecular FormulaC11H12NO4S-
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate
SMILESCCOc1ccc(C(N)=O)c(SCC(=O)[O-])c1
InChIInChI=1S/C11H13NO4S/c1-2-16-7-3-4-8(11(12)15)9(5-7)17-6-10(13)14/h3-5H,2,6H2,1H3,(H2,12,15)(H,13,14)/p-1
InChIKeyXETNLDWLMNXRIA-UHFFFAOYSA-M
XLogP0.03
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate 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

2,4-diethoxybenzamide
CID 17145726
2,4-diethoxybenzoate
CID 6951194
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
CID 79526927
2-[1-(dimethylamino)ethyl]-4-ethoxybenzoate
CID 22299754
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 79518904
4-chloro-2-ethoxybenzamide
CID 126998915
2-[1-(diethylamino)ethyl]-4-ethoxybenzoate
CID 23616381
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
2,2-dibromo-1-(2,4-diethoxyphenyl)ethanone
CID 166607863
ethyl 2-(4-ethoxy-2-methylphenyl)-2-oxoacetate
CID 82553694

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate?
The IUPAC name of 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate (CID 6927748) is 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate.
What is the SMILES notation for 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate?
The canonical SMILES for 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate is CCOc1ccc(C(N)=O)c(SCC(=O)[O-])c1.
What is the InChIKey of 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate?
The InChIKey is XETNLDWLMNXRIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO4S/c1-2-16-7-3-4-8(11(12)15)9(5-7)17-6-10(13)14/h3-5H,2,6H2,1H3,(H2,12,15)(H,13,14)/p-1.
What are the key properties of 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate?
2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate has a molecular weight of 254.29 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetate is sourced from PubChem (CID 6927748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).