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

C12H17ClN2O2S — CID 61304437

IUPACN-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
SMILESCCCS(=O)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2S/c1-3-6-18(17)8(2)12(16)15-11-7-9(13)4-5-10(11)14/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyOTGKLRLISPKIOZ-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.41
Rot. Bonds5

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

N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide (PubChem CID 61304437) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
PubChem CID61304437
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
SMILESCCCS(=O)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2S/c1-3-6-18(17)8(2)12(16)15-11-7-9(13)4-5-10(11)14/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyOTGKLRLISPKIOZ-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.41
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-propylsulfinylpropanamide 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-ethylsulfinylpropanamide
CID 61303642
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-4-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63660648
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
CID 61302835
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide
CID 107753615

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide (CID 61304437) is N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide is CCCS(=O)C(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide?
The InChIKey is OTGKLRLISPKIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-3-6-18(17)8(2)12(16)15-11-7-9(13)4-5-10(11)14/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide?
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide has a molecular weight of 288.80 g/mol, XLogP of 2.41, 5 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-propylsulfinylpropanamide is sourced from PubChem (CID 61304437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).