2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide

C13H20N2OS — CID 43117358

IUPAC2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1ccccc1N
InChIInChI=1S/C13H20N2OS/c1-4-15(5-2)13(16)10(3)17-12-9-7-6-8-11(12)14/h6-10H,4-5,14H2,1-3H3
InChIKeyAOHDXKVWTYTEDK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.62
Rot. Bonds5

About 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide

2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide (PubChem CID 43117358) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
PubChem CID43117358
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1ccccc1N
InChIInChI=1S/C13H20N2OS/c1-4-15(5-2)13(16)10(3)17-12-9-7-6-8-11(12)14/h6-10H,4-5,14H2,1-3H3
InChIKeyAOHDXKVWTYTEDK-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.62
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-(2-amino-5-bromophenyl)sulfanyl-N,N-diethylpropanamide
CID 79533528
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide
CID 115945257
2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide
CID 79134085
2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
CID 43459417
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
CID 111596437
N,N-diethyl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347576
2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 63118749
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 78841431
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 112778882
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide (CID 43117358) is 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Sc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide?
The InChIKey is AOHDXKVWTYTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-15(5-2)13(16)10(3)17-12-9-7-6-8-11(12)14/h6-10H,4-5,14H2,1-3H3.
What are the key properties of 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide?
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide has a molecular weight of 252.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide is sourced from PubChem (CID 43117358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).