2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide

C20H23Cl2N3O2S — CID 86903159

IUPAC2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C20H23Cl2N3O2S/c1-12(2)17(24-18(26)15-6-5-14(21)10-16(15)22)20(27)25-8-3-4-13(11-25)19-23-7-9-28-19/h5-7,9-10,12-13,17H,3-4,8,11H2,1-2H3,(H,24,26)
InChIKeyYKBFCROKBZFQMR-UHFFFAOYSA-N
MW440.40 g/mol
LogP4.61
Rot. Bonds5

About 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide

2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide (PubChem CID 86903159) has the molecular formula C20H23Cl2N3O2S and a molecular weight of 440.40 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide
PubChem CID86903159
Molecular FormulaC20H23Cl2N3O2S
Molecular Weight440.40 g/mol
Exact Mass439.09
IUPAC Name2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C20H23Cl2N3O2S/c1-12(2)17(24-18(26)15-6-5-14(21)10-16(15)22)20(27)25-8-3-4-13(11-25)19-23-7-9-28-19/h5-7,9-10,12-13,17H,3-4,8,11H2,1-2H3,(H,24,26)
InChIKeyYKBFCROKBZFQMR-UHFFFAOYSA-N
XLogP4.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]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

ethyl (3R)-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylate
CID 30955318
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
2,4-dichloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 134016848
2,4-dichloro-N-[(2S)-3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 42123727
(3S)-1-[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173939
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide;hydrochloride
CID 119594366
(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762087
2,4-dichloro-N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24665615
2-chloro-N-[3-methyl-1-oxo-1-[3-(phenoxymethyl)piperidin-1-yl]butan-2-yl]benzamide
CID 86971269
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119596484
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 24759741
ethyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylate
CID 51159672

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide (CID 86903159) is 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC(c2nccs2)C1.
What is the InChIKey of 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide?
The InChIKey is YKBFCROKBZFQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2S/c1-12(2)17(24-18(26)15-6-5-14(21)10-16(15)22)20(27)25-8-3-4-13(11-25)19-23-7-9-28-19/h5-7,9-10,12-13,17H,3-4,8,11H2,1-2H3,(H,24,26).
What are the key properties of 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide?
2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide has a molecular weight of 440.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-methyl-1-oxo-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 86903159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).