2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide

C11H14Cl2N2OS — CID 66220583

IUPAC2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
SMILESCC(CN)SCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2OS/c1-7(5-14)17-6-11(16)15-10-4-8(12)2-3-9(10)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyWOYALBVFISSCBR-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.01
Rot. Bonds5

About 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide

2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 66220583) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
PubChem CID66220583
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
SMILESCC(CN)SCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2OS/c1-7(5-14)17-6-11(16)15-10-4-8(12)2-3-9(10)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyWOYALBVFISSCBR-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

N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
3-(3-amino-2-methylpropyl)sulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 66224538
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
methyl 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanylpropanoate
CID 78842724
4-chloro-3-[[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 66104139
N-(2,5-dichlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639281
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 113244525
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783
2-[3-(2,5-dichloroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354260
5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 62964001

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide (CID 66220583) is 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide is CC(CN)SCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is WOYALBVFISSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c1-7(5-14)17-6-11(16)15-10-4-8(12)2-3-9(10)13/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide?
2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide 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-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 66220583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).