5-amino-2-(2-methoxyethylsulfanyl)benzamide

C10H14N2O2S — CID 61306151

IUPAC5-amino-2-(2-methoxyethylsulfanyl)benzamide
SMILESCOCCSc1ccc(N)cc1C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-14-4-5-15-9-3-2-7(11)6-8(9)10(12)13/h2-3,6H,4-5,11H2,1H3,(H2,12,13)
InChIKeyBAALFSORVPQFOZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.11
Rot. Bonds5

About 5-amino-2-(2-methoxyethylsulfanyl)benzamide

5-amino-2-(2-methoxyethylsulfanyl)benzamide (PubChem CID 61306151) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-amino-2-(2-methoxyethylsulfanyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-methoxyethylsulfanyl)benzamide
PubChem CID61306151
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name5-amino-2-(2-methoxyethylsulfanyl)benzamide
SMILESCOCCSc1ccc(N)cc1C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-14-4-5-15-9-3-2-7(11)6-8(9)10(12)13/h2-3,6H,4-5,11H2,1H3,(H2,12,13)
InChIKeyBAALFSORVPQFOZ-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'}

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Related Compounds

5-amino-2-(2-methylpropylsulfanyl)benzamide
CID 61306670
3-amino-4-(2-methoxyethylsulfanyl)benzamide
CID 43448635
3-methoxy-4-(2-methoxyethylsulfanyl)aniline
CID 79822502
methyl 5-amino-2-(3-hydroxypropylsulfanyl)benzoate
CID 66129162
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
3-(3-methoxypropylsulfanyl)-4-methylaniline
CID 63857550
2-(2-methoxyethylsulfanyl)-5-(trifluoromethyl)benzoic acid
CID 62700951
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
2-(3-methoxypropylsulfanyl)-5-sulfamoylbenzoic acid
CID 63856271
5-amino-2-[4-(2-methoxyethyldisulfanyl)butanoyloxy]benzoic acid
CID 58607936
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
3-chloro-4-(2-methoxyethylsulfanyl)benzoic acid
CID 63089662

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methoxyethylsulfanyl)benzamide?
The IUPAC name of 5-amino-2-(2-methoxyethylsulfanyl)benzamide (CID 61306151) is 5-amino-2-(2-methoxyethylsulfanyl)benzamide.
What is the SMILES notation for 5-amino-2-(2-methoxyethylsulfanyl)benzamide?
The canonical SMILES for 5-amino-2-(2-methoxyethylsulfanyl)benzamide is COCCSc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(2-methoxyethylsulfanyl)benzamide?
The InChIKey is BAALFSORVPQFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-4-5-15-9-3-2-7(11)6-8(9)10(12)13/h2-3,6H,4-5,11H2,1H3,(H2,12,13).
What are the key properties of 5-amino-2-(2-methoxyethylsulfanyl)benzamide?
5-amino-2-(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 5-amino-2-(2-methoxyethylsulfanyl)benzamide is sourced from PubChem (CID 61306151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).