4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C25H23ClN4O3S — CID 31008296

IUPAC4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCc2cn3ccccc3n2)ccc1Cl
InChIInChI=1S/C25H23ClN4O3S/c1-2-15-30(21-8-4-3-5-9-21)34(32,33)23-17-19(11-12-22(23)26)25(31)27-14-13-20-18-29-16-7-6-10-24(29)28-20/h2-12,16-18H,1,13-15H2,(H,27,31)
InChIKeyOSWOUSVMYCACDO-UHFFFAOYSA-N
MW495.00 g/mol
LogP4.34
Rot. Bonds9

About 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 31008296) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID31008296
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC Name4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCc2cn3ccccc3n2)ccc1Cl
InChIInChI=1S/C25H23ClN4O3S/c1-2-15-30(21-8-4-3-5-9-21)34(32,33)23-17-19(11-12-22(23)26)25(31)27-14-13-20-18-29-16-7-6-10-24(29)28-20/h2-12,16-18H,1,13-15H2,(H,27,31)
InChIKeyOSWOUSVMYCACDO-UHFFFAOYSA-N
XLogP4.34
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 31008296) is 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCc2cn3ccccc3n2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is OSWOUSVMYCACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c1-2-15-30(21-8-4-3-5-9-21)34(32,33)23-17-19(11-12-22(23)26)25(31)27-14-13-20-18-29-16-7-6-10-24(29)28-20/h2-12,16-18H,1,13-15H2,(H,27,31).
What are the key properties of 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 495.00 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 31008296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).