2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride

C13H19Cl3N2OS — CID 120830416

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)Sc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2OS.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-6-10(14)4-5-11(12)15;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H
InChIKeyZJVMROFPONXNBZ-UHFFFAOYSA-N
MW357.73 g/mol
LogP3.62
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride

2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 120830416) has the molecular formula C13H19Cl3N2OS and a molecular weight of 357.73 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
PubChem CID120830416
Molecular FormulaC13H19Cl3N2OS
Molecular Weight357.73 g/mol
Exact Mass356.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)Sc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2OS.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-6-10(14)4-5-11(12)15;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H
InChIKeyZJVMROFPONXNBZ-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.73
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 47051274
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 7870521
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980923
N-[2-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]ethyl]-2-fluorobenzamide
CID 55974574
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562
2-(2,5-dichlorophenyl)sulfanylpentan-3-one
CID 60975325
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119447334
ethyl N-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]carbamate
CID 47266788

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride (CID 120830416) is 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride is CNC(C)CNC(=O)C(C)Sc1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is ZJVMROFPONXNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2OS.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-6-10(14)4-5-11(12)15;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride?
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 357.73 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120830416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).