N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

C21H26N4O3S2 — CID 55517733

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C21H26N4O3S2/c1-16-6-8-18(9-7-16)30(27,28)24-19(11-14-29-2)21(26)22-12-10-17-15-25-13-4-3-5-20(25)23-17/h3-9,13,15,19,24H,10-12,14H2,1-2H3,(H,22,26)
InChIKeyNATLNDOQLJYNDK-UHFFFAOYSA-N
MW446.60 g/mol
LogP2.40
Rot. Bonds10

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 55517733) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID55517733
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C21H26N4O3S2/c1-16-6-8-18(9-7-16)30(27,28)24-19(11-14-29-2)21(26)22-12-10-17-15-25-13-4-3-5-20(25)23-17/h3-9,13,15,19,24H,10-12,14H2,1-2H3,(H,22,26)
InChIKeyNATLNDOQLJYNDK-UHFFFAOYSA-N
XLogP2.40
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629918
2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55518714
2-[(2-fluorophenyl)sulfonylamino]-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylsulfanylbutanamide
CID 55977067
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 46532913
N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide
CID 46651971
N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46652731
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 41082020
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]butanamide
CID 55863712
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55957642
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 32832494
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 3367442
(2S)-N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 96509272

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 55517733) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1cn2ccccc2n1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is NATLNDOQLJYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-16-6-8-18(9-7-16)30(27,28)24-19(11-14-29-2)21(26)22-12-10-17-15-25-13-4-3-5-20(25)23-17/h3-9,13,15,19,24H,10-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 446.60 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 55517733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).