2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide

C11H14Cl2N2OS — CID 82179923

IUPAC2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide
SMILESCC(SCCN)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2OS/c1-7(17-3-2-14)11(16)15-10-5-8(12)4-9(13)6-10/h4-7H,2-3,14H2,1H3,(H,15,16)
InChIKeyWKQBWKMLBFRPHS-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide

2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide (PubChem CID 82179923) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide
PubChem CID82179923
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC Name2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide
SMILESCC(SCCN)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2OS/c1-7(17-3-2-14)11(16)15-10-5-8(12)4-9(13)6-10/h4-7H,2-3,14H2,1H3,(H,15,16)
InChIKeyWKQBWKMLBFRPHS-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide
CID 44639776
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
2-(2-aminoethylsulfanyl)-N-(2,5-dimethylphenyl)propanamide
CID 82179912
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
2-(4-aminobutylsulfanyl)-N-(2-chlorophenyl)propanamide
CID 82180215
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639868
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7760118
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184
4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
CID 8580249
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
2-(2-aminoethylsulfanyl)-N-ethylpropanamide
CID 43117398

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide (CID 82179923) is 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide is CC(SCCN)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is WKQBWKMLBFRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c1-7(17-3-2-14)11(16)15-10-5-8(12)4-9(13)6-10/h4-7H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide?
2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 293.22 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 82179923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).