2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide

C21H26Cl2N4OS — CID 55911629

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCCN1CCN(c2ccc(CNC(=O)C(C)Sc3cc(Cl)ccc3Cl)cn2)CC1
InChIInChI=1S/C21H26Cl2N4OS/c1-3-26-8-10-27(11-9-26)20-7-4-16(13-24-20)14-25-21(28)15(2)29-19-12-17(22)5-6-18(19)23/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,25,28)
InChIKeyVLPXVLRIYIPOEF-UHFFFAOYSA-N
MW453.44 g/mol
LogP4.33
Rot. Bonds7

About 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide

2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 55911629) has the molecular formula C21H26Cl2N4OS and a molecular weight of 453.44 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID55911629
Molecular FormulaC21H26Cl2N4OS
Molecular Weight453.44 g/mol
Exact Mass452.12
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCCN1CCN(c2ccc(CNC(=O)C(C)Sc3cc(Cl)ccc3Cl)cn2)CC1
InChIInChI=1S/C21H26Cl2N4OS/c1-3-26-8-10-27(11-9-26)20-7-4-16(13-24-20)14-25-21(28)15(2)29-19-12-17(22)5-6-18(19)23/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,25,28)
InChIKeyVLPXVLRIYIPOEF-UHFFFAOYSA-N
XLogP4.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 47051274
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
1-(4-chlorophenyl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879226
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55744182
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 55735225
2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801593

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide (CID 55911629) is 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide is CCN1CCN(c2ccc(CNC(=O)C(C)Sc3cc(Cl)ccc3Cl)cn2)CC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is VLPXVLRIYIPOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4OS/c1-3-26-8-10-27(11-9-26)20-7-4-16(13-24-20)14-25-21(28)15(2)29-19-12-17(22)5-6-18(19)23/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,25,28).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 453.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55911629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).