N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide

C12H17ClN2O2S — CID 61304444

IUPACN-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
SMILESCCCS(=O)CCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O2S/c1-2-6-18(17)7-5-12(16)15-11-4-3-9(13)8-10(11)14/h3-4,8H,2,5-7,14H2,1H3,(H,15,16)
InChIKeyTUEGILWOFVECQT-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.41
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide

N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide (PubChem CID 61304444) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
PubChem CID61304444
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
SMILESCCCS(=O)CCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O2S/c1-2-6-18(17)7-5-12(16)15-11-4-3-9(13)8-10(11)14/h3-4,8H,2,5-7,14H2,1H3,(H,15,16)
InChIKeyTUEGILWOFVECQT-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-4-chlorophenyl)-3-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-4-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753534
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753533
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753724
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide (CID 61304444) is N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide is CCCS(=O)CCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide?
The InChIKey is TUEGILWOFVECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-2-6-18(17)7-5-12(16)15-11-4-3-9(13)8-10(11)14/h3-4,8H,2,5-7,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide?
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide has a molecular weight of 288.80 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide is sourced from PubChem (CID 61304444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).