2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide

C22H26Cl2N4O2S — CID 55496862

IUPAC2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C22H26Cl2N4O2S/c1-31-12-9-19(27-21(29)17-7-5-15(23)13-18(17)24)22(30)26-16-6-8-20(25-14-16)28-10-3-2-4-11-28/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,26,30)(H,27,29)
InChIKeyIVWKUDYAZOTKBL-UHFFFAOYSA-N
MW481.45 g/mol
LogP4.87
Rot. Bonds8

About 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide

2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide (PubChem CID 55496862) has the molecular formula C22H26Cl2N4O2S and a molecular weight of 481.45 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
PubChem CID55496862
Molecular FormulaC22H26Cl2N4O2S
Molecular Weight481.45 g/mol
Exact Mass480.12
IUPAC Name2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C22H26Cl2N4O2S/c1-31-12-9-19(27-21(29)17-7-5-15(23)13-18(17)24)22(30)26-16-6-8-20(25-14-16)28-10-3-2-4-11-28/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,26,30)(H,27,29)
InChIKeyIVWKUDYAZOTKBL-UHFFFAOYSA-N
XLogP4.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.45
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[4-methylsulfanyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 55415925
2,4-dichloro-N-[1-[2-(cyclohexanecarbonylamino)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55855311
2-chloro-N-[(2S)-1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 7973729
2-chloro-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 46533335
4-amino-2-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 80543440
2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 46699574
2,4-dichloro-N-[1-[1-(2,4-dichlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55331402
2,4-dichloro-N-[1-(3-cyclohexyloxypropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55408233
2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-yl]benzamide
CID 55636626
2,4-dichloro-N-[1-[(4-ethylcyclohexyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 112816319
2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55620504
(1-anilino-1-oxopropan-2-yl) 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 55324537

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide (CID 55496862) is 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide is CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide?
The InChIKey is IVWKUDYAZOTKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O2S/c1-31-12-9-19(27-21(29)17-7-5-15(23)13-18(17)24)22(30)26-16-6-8-20(25-14-16)28-10-3-2-4-11-28/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide?
2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide has a molecular weight of 481.45 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 55496862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).