(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide

C17H15ClN4O3S — CID 9141132

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1S(N)(=O)=O
InChIInChI=1S/C17H15ClN4O3S/c1-11-5-6-12(10-14(11)26(19,24)25)20-16(23)8-7-13-17(18)21-15-4-2-3-9-22(13)15/h2-10H,1H3,(H,20,23)(H2,19,24,25)/b8-7+
InChIKeyUJFKHAWCGODADP-BQYQJAHWSA-N
MW390.85 g/mol
LogP2.60
Rot. Bonds4

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide (PubChem CID 9141132) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
PubChem CID9141132
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1S(N)(=O)=O
InChIInChI=1S/C17H15ClN4O3S/c1-11-5-6-12(10-14(11)26(19,24)25)20-16(23)8-7-13-17(18)21-15-4-2-3-9-22(13)15/h2-10H,1H3,(H,20,23)(H2,19,24,25)/b8-7+
InChIKeyUJFKHAWCGODADP-BQYQJAHWSA-N
XLogP2.60
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.60
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

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
CID 84985160
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 26908510
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 92511044
2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]benzamide
CID 75620305
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 85457596
(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141161
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide
CID 55967562
[2-(3-methylanilino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735155
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 26590143
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide (CID 9141132) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1S(N)(=O)=O.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is UJFKHAWCGODADP-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-11-5-6-12(10-14(11)26(19,24)25)20-16(23)8-7-13-17(18)21-15-4-2-3-9-22(13)15/h2-10H,1H3,(H,20,23)(H2,19,24,25)/b8-7+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide has a molecular weight of 390.85 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9141132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).