2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

C15H24N2O2S — CID 79527004

IUPAC2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCCOc1ccc(N)c(SCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-5-19-12-6-7-13(16)14(8-12)20-9-15(18)17-11(4)10(2)3/h6-8,10-11H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyWEKKEESEXKKDFH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.92
Rot. Bonds7

About 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 79527004) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID79527004
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCCOc1ccc(N)c(SCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-5-19-12-6-7-13(16)14(8-12)20-9-15(18)17-11(4)10(2)3/h6-8,10-11H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyWEKKEESEXKKDFH-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide 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-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 79518904
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
CID 79526927
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43302612
2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79149634
4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
CID 79512196
4-ethoxy-2-(3-methylsulfonylpropylsulfanyl)aniline
CID 79526633
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2645754

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (CID 79527004) is 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is CCOc1ccc(N)c(SCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is WEKKEESEXKKDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-19-12-6-7-13(16)14(8-12)20-9-15(18)17-11(4)10(2)3/h6-8,10-11H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79527004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).