N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide

C11H15ClN2O2S — CID 61303642

IUPACN-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
SMILESCCS(=O)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O2S/c1-3-17(16)7(2)11(15)14-10-6-8(12)4-5-9(10)13/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyVWRYWANRMWREDR-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.02
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide

N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide (PubChem CID 61303642) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
PubChem CID61303642
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
SMILESCCS(=O)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O2S/c1-3-17(16)7(2)11(15)14-10-6-8(12)4-5-9(10)13/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyVWRYWANRMWREDR-UHFFFAOYSA-N
XLogP2.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide 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-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-4-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63660648
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide (CID 61303642) is N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide is CCS(=O)C(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide?
The InChIKey is VWRYWANRMWREDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-3-17(16)7(2)11(15)14-10-6-8(12)4-5-9(10)13/h4-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide?
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide has a molecular weight of 274.77 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide is sourced from PubChem (CID 61303642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).