2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide

C15H21Cl2N3OS — CID 119447334

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H21Cl2N3OS/c1-11(22-14-10-12(16)2-3-13(14)17)15(21)19-6-9-20-7-4-18-5-8-20/h2-3,10-11,18H,4-9H2,1H3,(H,19,21)
InChIKeyUKXGPARWZXXKDY-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.50
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide

2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119447334) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119447334
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H21Cl2N3OS/c1-11(22-14-10-12(16)2-3-13(14)17)15(21)19-6-9-20-7-4-18-5-8-20/h2-3,10-11,18H,4-9H2,1H3,(H,19,21)
InChIKeyUKXGPARWZXXKDY-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392216
2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355
2-(4-bromophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119449060
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47061387
2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119452175
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562
N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108500963
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448453
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
2-(4-nitrophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446039

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide (CID 119447334) is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide is CC(Sc1cc(Cl)ccc1Cl)C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is UKXGPARWZXXKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3OS/c1-11(22-14-10-12(16)2-3-13(14)17)15(21)19-6-9-20-7-4-18-5-8-20/h2-3,10-11,18H,4-9H2,1H3,(H,19,21).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 362.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119447334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).