ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate

C11H13ClN2O3S — CID 107198568

IUPACethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H13ClN2O3S/c1-2-17-9(15)5-18-10-7(11(14)16)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H2,14,16)
InChIKeyMZRSDBKZVJMMHB-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.68
Rot. Bonds5

About ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate

ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate (PubChem CID 107198568) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate
PubChem CID107198568
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Nameethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H13ClN2O3S/c1-2-17-9(15)5-18-10-7(11(14)16)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H2,14,16)
InChIKeyMZRSDBKZVJMMHB-UHFFFAOYSA-N
XLogP1.68
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)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

5-amino-2-butylsulfanyl-3-chlorobenzamide
CID 107198550
ethyl 5-amino-3-chloro-2-(3-methoxy-3-oxopropyl)sulfanylbenzoate
CID 107198552
ethyl 2-(4-amino-3-carbamoylphenyl)sulfanylacetate
CID 54979960
ethyl 2-(3-amino-5-methylphenyl)sulfanylacetate
CID 112648761
5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide
CID 107198489
ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate
CID 66078116
5-amino-2,3-dichlorobenzamide
CID 107183127
ethyl 5-amino-3-chloro-2-(2-chlorophenyl)sulfanylbenzoate
CID 107198413
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
ethyl 5-amino-3-chloro-2-pyridin-4-ylsulfanylbenzoate
CID 107198798
5-amino-3-chloro-2-(3-methoxyphenyl)sulfanylbenzamide
CID 107198405
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate (CID 107198568) is ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate is CCOC(=O)CSc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate?
The InChIKey is MZRSDBKZVJMMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-2-17-9(15)5-18-10-7(11(14)16)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H2,14,16).
What are the key properties of ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate?
ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate has a molecular weight of 288.76 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 107198568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).