2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide

C16H14Cl3NOS — CID 18269483

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
SMILESCC(SCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NOS/c1-10(22-9-11-2-4-12(17)5-3-11)16(21)20-15-7-6-13(18)8-14(15)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyMSDBXNJGRIJWCG-UHFFFAOYSA-N
MW374.72 g/mol
LogP5.91
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide

2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 18269483) has the molecular formula C16H14Cl3NOS and a molecular weight of 374.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
PubChem CID18269483
Molecular FormulaC16H14Cl3NOS
Molecular Weight374.72 g/mol
Exact Mass372.99
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
SMILESCC(SCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NOS/c1-10(22-9-11-2-4-12(17)5-3-11)16(21)20-15-7-6-13(18)8-14(15)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyMSDBXNJGRIJWCG-UHFFFAOYSA-N
XLogP5.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
ethyl 2-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 8604540
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide
CID 8580257
(2S)-N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 8580106
4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
CID 8580249
N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 55315484
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide
CID 43098969
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
2-[(4-chlorophenyl)methylsulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16523768
2-[(3-bromophenyl)methylsulfanyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 47011599

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide (CID 18269483) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide is CC(SCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is MSDBXNJGRIJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NOS/c1-10(22-9-11-2-4-12(17)5-3-11)16(21)20-15-7-6-13(18)8-14(15)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 374.72 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 18269483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).