N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide

C12H16Cl2N2OS — CID 29292059

IUPACN-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
SMILESCCCSCCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2OS/c1-2-4-18-5-3-11(17)16-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyIQPYQUWAQYQNTL-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.05
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide

N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide (PubChem CID 29292059) has the molecular formula C12H16Cl2N2OS and a molecular weight of 307.25 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
PubChem CID29292059
Molecular FormulaC12H16Cl2N2OS
Molecular Weight307.25 g/mol
Exact Mass306.04
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
SMILESCCCSCCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2OS/c1-2-4-18-5-3-11(17)16-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyIQPYQUWAQYQNTL-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.05
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'}

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43269987
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349
N-(2-amino-4,6-dichlorophenyl)-2-(3-methylbutylsulfanyl)acetamide
CID 107749089
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-4-[ethyl(2-hydroxyethyl)amino]butanamide
CID 60981032
N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 79380076
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101399

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide (CID 29292059) is N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide is CCCSCCC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide?
The InChIKey is IQPYQUWAQYQNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2OS/c1-2-4-18-5-3-11(17)16-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide?
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide has a molecular weight of 307.25 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide is sourced from PubChem (CID 29292059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).