2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C21H22Cl2N4O2S — CID 55518714

IUPAC2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C21H22Cl2N4O2S/c1-30-11-8-18(26-20(28)16-6-5-14(22)12-17(16)23)21(29)24-9-7-15-13-27-10-3-2-4-19(27)25-15/h2-6,10,12-13,18H,7-9,11H2,1H3,(H,24,29)(H,26,28)
InChIKeyXSELNHYVVNSCPX-UHFFFAOYSA-N
MW465.41 g/mol
LogP3.85
Rot. Bonds9

About 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 55518714) has the molecular formula C21H22Cl2N4O2S and a molecular weight of 465.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID55518714
Molecular FormulaC21H22Cl2N4O2S
Molecular Weight465.41 g/mol
Exact Mass464.08
IUPAC Name2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C21H22Cl2N4O2S/c1-30-11-8-18(26-20(28)16-6-5-14(22)12-17(16)23)21(29)24-9-7-15-13-27-10-3-2-4-19(27)25-15/h2-6,10,12-13,18H,7-9,11H2,1H3,(H,24,29)(H,26,28)
InChIKeyXSELNHYVVNSCPX-UHFFFAOYSA-N
XLogP3.85
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[1-[2-(2,6-difluorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55931426
2,4-dichloro-N-[1-[2-(methylamino)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 119503436
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55517733
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
CID 41463586
5-chloro-2-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430229
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 55473645
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 32832494
2,4-dichloro-N-[1-[2-(cyclohexanecarbonylamino)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55855311
2,4-dichloro-N-[1-(methoxyamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 51279322
2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(2-propan-2-yloxyphenyl)methylamino]butan-2-yl]benzamide
CID 55952543
N-[1-[(5-bromothiophen-2-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 55586216
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 37275406

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 55518714) is 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1cn2ccccc2n1.
What is the InChIKey of 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is XSELNHYVVNSCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2S/c1-30-11-8-18(26-20(28)16-6-5-14(22)12-17(16)23)21(29)24-9-7-15-13-27-10-3-2-4-19(27)25-15/h2-6,10,12-13,18H,7-9,11H2,1H3,(H,24,29)(H,26,28).
What are the key properties of 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 465.41 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55518714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).