2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide

C11H15N3O2S — CID 60848322

IUPAC2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
SMILESCSc1ccccc1NC(=O)CNC(=O)CN
InChIInChI=1S/C11H15N3O2S/c1-17-9-5-3-2-4-8(9)14-11(16)7-13-10(15)6-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyRWYQUUNBVNFSLX-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.42
Rot. Bonds5

About 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide

2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide (PubChem CID 60848322) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
PubChem CID60848322
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
SMILESCSc1ccccc1NC(=O)CNC(=O)CN
InChIInChI=1S/C11H15N3O2S/c1-17-9-5-3-2-4-8(9)14-11(16)7-13-10(15)6-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyRWYQUUNBVNFSLX-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
2-amino-N-[2-(2-methylsulfonylanilino)-2-oxoethyl]acetamide
CID 60849783
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
(2R)-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194221
2-amino-N-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]acetamide
CID 60849261
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38211944
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
CID 114227332
2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60846960
2-amino-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]acetamide
CID 60850877

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide (CID 60848322) is 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide is CSc1ccccc1NC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The InChIKey is RWYQUUNBVNFSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-17-9-5-3-2-4-8(9)14-11(16)7-13-10(15)6-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide has a molecular weight of 253.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 60848322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).