2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide

C23H27Cl2N3O3S — CID 55330567

IUPAC2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H27Cl2N3O3S/c1-14(2)11-19(27-22(30)16-10-9-15(24)12-17(16)25)23(31)28(3)13-21(29)26-18-7-5-6-8-20(18)32-4/h5-10,12,14,19H,11,13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyCIADAKKWBNRWJE-UHFFFAOYSA-N
MW496.46 g/mol
LogP4.96
Rot. Bonds9

About 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide (PubChem CID 55330567) has the molecular formula C23H27Cl2N3O3S and a molecular weight of 496.46 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide
PubChem CID55330567
Molecular FormulaC23H27Cl2N3O3S
Molecular Weight496.46 g/mol
Exact Mass495.12
IUPAC Name2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H27Cl2N3O3S/c1-14(2)11-19(27-22(30)16-10-9-15(24)12-17(16)25)23(31)28(3)13-21(29)26-18-7-5-6-8-20(18)32-4/h5-10,12,14,19H,11,13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyCIADAKKWBNRWJE-UHFFFAOYSA-N
XLogP4.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 167968071
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
2,4-dichloro-N-[1-[(3,4-difluorophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55558112
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863056
2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide
CID 55364382
(2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38488860
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide (CID 55330567) is 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide?
The InChIKey is CIADAKKWBNRWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O3S/c1-14(2)11-19(27-22(30)16-10-9-15(24)12-17(16)25)23(31)28(3)13-21(29)26-18-7-5-6-8-20(18)32-4/h5-10,12,14,19H,11,13H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide?
2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 496.46 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55330567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).