N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide

C19H19ClN4O3S — CID 76863470

IUPACN-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1c(Cl)nc2ccccn12)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C19H19ClN4O3S/c20-19-16(24-12-5-4-8-17(24)23-19)9-10-18(25)21-11-13-28(26,27)22-14-15-6-2-1-3-7-15/h1-10,12,22H,11,13-14H2,(H,21,25)
InChIKeyJMZPIOKTBMRJJJ-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.24
Rot. Bonds8

About N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide

N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide (PubChem CID 76863470) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
PubChem CID76863470
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1c(Cl)nc2ccccn12)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C19H19ClN4O3S/c20-19-16(24-12-5-4-8-17(24)23-19)9-10-18(25)21-11-13-28(26,27)22-14-15-6-2-1-3-7-15/h1-10,12,22H,11,13-14H2,(H,21,25)
InChIKeyJMZPIOKTBMRJJJ-UHFFFAOYSA-N
XLogP2.24
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 166214968
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]prop-2-enamide
CID 55710802
[2-(benzylamino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735237
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 102603310
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111331161
propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
CID 51110888
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 41267079
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 111463227
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]prop-2-enamide
CID 94201750

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide (CID 76863470) is N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide is O=C(C=Cc1c(Cl)nc2ccccn12)NCCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide?
The InChIKey is JMZPIOKTBMRJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-19-16(24-12-5-4-8-17(24)23-19)9-10-18(25)21-11-13-28(26,27)22-14-15-6-2-1-3-7-15/h1-10,12,22H,11,13-14H2,(H,21,25).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide?
N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide has a molecular weight of 418.91 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 76863470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).