2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide

C11H13ClN2O2S — CID 1249389

IUPAC2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1c(Cl)cccc1NC(=O)CSCC(N)=O
InChIInChI=1S/C11H13ClN2O2S/c1-7-8(12)3-2-4-9(7)14-11(16)6-17-5-10(13)15/h2-4H,5-6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyHFGFJBGSVWSWHO-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide

2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 1249389) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID1249389
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1c(Cl)cccc1NC(=O)CSCC(N)=O
InChIInChI=1S/C11H13ClN2O2S/c1-7-8(12)3-2-4-9(7)14-11(16)6-17-5-10(13)15/h2-4H,5-6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyHFGFJBGSVWSWHO-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 1249389) is 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide is Cc1c(Cl)cccc1NC(=O)CSCC(N)=O.
What is the InChIKey of 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is HFGFJBGSVWSWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-7-8(12)3-2-4-9(7)14-11(16)6-17-5-10(13)15/h2-4H,5-6H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide?
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 272.76 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 1249389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).