3-amino-4-(2-methoxyethylsulfanyl)benzamide

C10H14N2O2S — CID 43448635

IUPAC3-amino-4-(2-methoxyethylsulfanyl)benzamide
SMILESCOCCSc1ccc(C(N)=O)cc1N
InChIInChI=1S/C10H14N2O2S/c1-14-4-5-15-9-3-2-7(10(12)13)6-8(9)11/h2-3,6H,4-5,11H2,1H3,(H2,12,13)
InChIKeyXAXYYIGZANQFPE-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.11
Rot. Bonds5

About 3-amino-4-(2-methoxyethylsulfanyl)benzamide

3-amino-4-(2-methoxyethylsulfanyl)benzamide (PubChem CID 43448635) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-amino-4-(2-methoxyethylsulfanyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(2-methoxyethylsulfanyl)benzamide
PubChem CID43448635
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-amino-4-(2-methoxyethylsulfanyl)benzamide
SMILESCOCCSc1ccc(C(N)=O)cc1N
InChIInChI=1S/C10H14N2O2S/c1-14-4-5-15-9-3-2-7(10(12)13)6-8(9)11/h2-3,6H,4-5,11H2,1H3,(H2,12,13)
InChIKeyXAXYYIGZANQFPE-UHFFFAOYSA-N
XLogP1.11
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2-methoxyethylsulfanyl)benzamide 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

3-amino-4-propylsulfanylbenzamide
CID 43448627
3-amino-4-pentylsulfanylbenzamide
CID 107747782
5-amino-2-(2-methoxyethylsulfanyl)benzamide
CID 61306151
3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide
CID 66105071
4-amino-N-ethyl-3-(2-methoxyethylsulfanyl)benzamide
CID 55190903
3-(2-amino-4-methoxycarbonylphenyl)sulfanylpropanoic acid
CID 145147902
3-chloro-4-(2-methoxyethylsulfanyl)benzoic acid
CID 63089662
methyl 3-amino-4-pentylsulfanylbenzoate
CID 107752910
3-bromo-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 82799158
3-amino-4-[3-(2-methoxyethoxy)propoxymethyl]benzamide
CID 103401297
3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide
CID 103176862
4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide
CID 63856095

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxyethylsulfanyl)benzamide?
The IUPAC name of 3-amino-4-(2-methoxyethylsulfanyl)benzamide (CID 43448635) is 3-amino-4-(2-methoxyethylsulfanyl)benzamide.
What is the SMILES notation for 3-amino-4-(2-methoxyethylsulfanyl)benzamide?
The canonical SMILES for 3-amino-4-(2-methoxyethylsulfanyl)benzamide is COCCSc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(2-methoxyethylsulfanyl)benzamide?
The InChIKey is XAXYYIGZANQFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-4-5-15-9-3-2-7(10(12)13)6-8(9)11/h2-3,6H,4-5,11H2,1H3,(H2,12,13).
What are the key properties of 3-amino-4-(2-methoxyethylsulfanyl)benzamide?
3-amino-4-(2-methoxyethylsulfanyl)benzamide has a molecular weight of 226.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxyethylsulfanyl)benzamide is sourced from PubChem (CID 43448635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).