2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide

C13H19ClN2OS — CID 79527884

IUPAC2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Sc1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2OS/c1-3-4-7-16-13(17)9(2)18-12-8-10(14)5-6-11(12)15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyDWMVFYPFKWMFBN-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.32
Rot. Bonds6

About 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide

2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide (PubChem CID 79527884) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
PubChem CID79527884
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Sc1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2OS/c1-3-4-7-16-13(17)9(2)18-12-8-10(14)5-6-11(12)15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyDWMVFYPFKWMFBN-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide 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-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62026306
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355
(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
CID 99630869
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide
CID 79527866
2-(5-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 79141692
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107299870

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide (CID 79527884) is 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide is CCCCNC(=O)C(C)Sc1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide?
The InChIKey is DWMVFYPFKWMFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-3-4-7-16-13(17)9(2)18-12-8-10(14)5-6-11(12)15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide?
2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide has a molecular weight of 286.83 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide is sourced from PubChem (CID 79527884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).