3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide

C11H16N2O2S — CID 139903951

IUPAC3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCSCCO)c1
InChIInChI=1S/C11H16N2O2S/c12-10-3-1-2-9(8-10)11(15)13-4-6-16-7-5-14/h1-3,8,14H,4-7,12H2,(H,13,15)
InChIKeyKMOWTKGEZHMFFX-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.72
Rot. Bonds6

About 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide

3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide (PubChem CID 139903951) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide
PubChem CID139903951
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCSCCO)c1
InChIInChI=1S/C11H16N2O2S/c12-10-3-1-2-9(8-10)11(15)13-4-6-16-7-5-14/h1-3,8,14H,4-7,12H2,(H,13,15)
InChIKeyKMOWTKGEZHMFFX-UHFFFAOYSA-N
XLogP0.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
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-N-[2-(2-hydroxyethylsulfanyl)ethyl]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

N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
CID 103767620
3-amino-5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 114171675
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide (CID 139903951) is 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide is Nc1cccc(C(=O)NCCSCCO)c1.
What is the InChIKey of 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide?
The InChIKey is KMOWTKGEZHMFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-10-3-1-2-9(8-10)11(15)13-4-6-16-7-5-14/h1-3,8,14H,4-7,12H2,(H,13,15).
What are the key properties of 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide?
3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide has a molecular weight of 240.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 139903951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).