N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide

C13H17Cl2NOS — CID 55315484

IUPACN-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
SMILESCC(C)CSC(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-8(2)7-18-9(3)13(17)16-12-6-10(14)4-5-11(12)15/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyXTBAUKQRGFNQTK-UHFFFAOYSA-N
MW306.26 g/mol
LogP4.71
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide

N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide (PubChem CID 55315484) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
PubChem CID55315484
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC NameN-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
SMILESCC(C)CSC(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-8(2)7-18-9(3)13(17)16-12-6-10(14)4-5-11(12)15/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyXTBAUKQRGFNQTK-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(5-chloro-2-fluorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
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(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848170
N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18075928
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 18207485
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66103984
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 18269483
N-(2-amino-4,6-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 43125827
N-(2,5-dichlorophenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358493

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide (CID 55315484) is N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide is CC(C)CSC(C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide?
The InChIKey is XTBAUKQRGFNQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c1-8(2)7-18-9(3)13(17)16-12-6-10(14)4-5-11(12)15/h4-6,8-9H,7H2,1-3H3,(H,16,17).
What are the key properties of N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide?
N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide has a molecular weight of 306.26 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide is sourced from PubChem (CID 55315484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).