2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide

C13H19ClN2OS — CID 79134085

IUPAC2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-4-16(5-2)13(17)9(3)18-12-8-10(15)6-7-11(12)14/h6-9H,4-5,15H2,1-3H3
InChIKeyOHUGVVOOCTUDSF-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.27
Rot. Bonds5

About 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide

2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide (PubChem CID 79134085) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide
PubChem CID79134085
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-4-16(5-2)13(17)9(3)18-12-8-10(15)6-7-11(12)14/h6-9H,4-5,15H2,1-3H3
InChIKeyOHUGVVOOCTUDSF-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
2-(2-amino-5-bromophenyl)sulfanyl-N,N-diethylpropanamide
CID 79533528
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
CID 43117358
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
2-(5-amino-2-chlorophenyl)sulfanylpentanehydrazide
CID 83048344
2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide
CID 79127344
2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79133437
2-(2,5-dichlorophenyl)sulfanylpentan-3-one
CID 60975325
2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
CID 116540885
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79134546
N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide
CID 115945257

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide (CID 79134085) is 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Sc1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide?
The InChIKey is OHUGVVOOCTUDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-4-16(5-2)13(17)9(3)18-12-8-10(15)6-7-11(12)14/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide?
2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide has a molecular weight of 286.83 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide is sourced from PubChem (CID 79134085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).