(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide

C21H17ClN4O4S — CID 26590143

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H17ClN4O4S/c22-21-18(26-11-2-1-8-19(26)25-21)9-10-20(27)24-15-5-3-7-17(13-15)31(28,29)23-14-16-6-4-12-30-16/h1-13,23H,14H2,(H,24,27)/b10-9+
InChIKeyFRTJZYWJYCZIBP-MDZDMXLPSA-N
MW456.91 g/mol
LogP3.71
Rot. Bonds7

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 26590143) has the molecular formula C21H17ClN4O4S and a molecular weight of 456.91 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID26590143
Molecular FormulaC21H17ClN4O4S
Molecular Weight456.91 g/mol
Exact Mass456.07
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H17ClN4O4S/c22-21-18(26-11-2-1-8-19(26)25-21)9-10-20(27)24-15-5-3-7-17(13-15)31(28,29)23-14-16-6-4-12-30-16/h1-13,23H,14H2,(H,24,27)/b10-9+
InChIKeyFRTJZYWJYCZIBP-MDZDMXLPSA-N
XLogP3.71
TPSA105.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
CID 84985160
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 29203676
(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24604937
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141132
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 42992514
(E)-N-(3-fluorophenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9412526
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 92511044
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 26590181
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 26590215

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide (CID 26590143) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is FRTJZYWJYCZIBP-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H17ClN4O4S/c22-21-18(26-11-2-1-8-19(26)25-21)9-10-20(27)24-15-5-3-7-17(13-15)31(28,29)23-14-16-6-4-12-30-16/h1-13,23H,14H2,(H,24,27)/b10-9+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 456.91 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 26590143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).