N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide

C14H21ClN2O2S — CID 107753533

IUPACN-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
SMILESCCCCCS(=O)CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O2S/c1-2-3-4-8-20(19)9-7-14(18)17-13-10-11(15)5-6-12(13)16/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyLYYUYLVGYBFUJU-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.19
Rot. Bonds8

About N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide

N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide (PubChem CID 107753533) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
PubChem CID107753533
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
SMILESCCCCCS(=O)CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O2S/c1-2-3-4-8-20(19)9-7-14(18)17-13-10-11(15)5-6-12(13)16/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyLYYUYLVGYBFUJU-UHFFFAOYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.19
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 N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide 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-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-5-chlorophenyl)-3-butylsulfonylpropanamide
CID 43615882
N-(3-amino-2-methylphenyl)-3-pentylsulfinylpropanamide
CID 107753558
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-[2-(aminomethyl)phenyl]-3-pentylsulfinylpropanamide
CID 107766804
N-(2,5-dichlorophenyl)hexanamide
CID 5055577

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide (CID 107753533) is N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide is CCCCCS(=O)CCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide?
The InChIKey is LYYUYLVGYBFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-2-3-4-8-20(19)9-7-14(18)17-13-10-11(15)5-6-12(13)16/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide?
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide has a molecular weight of 316.85 g/mol, XLogP of 3.19, 8 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)-3-pentylsulfinylpropanamide is sourced from PubChem (CID 107753533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).